 | | UD2 | | Name: | URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | | Formula: | C17 H27 N3 O17 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 | | Synonyms: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Definition date: | 2001-02-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | UD6 | | Name: | [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate | | Formula: | C18 H28 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O | | InChi: | InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | UDP-2-ketoGlc | | Definition date: | 2011-05-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | UDM | | Name: | URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE | | Formula: | C18 H29 N3 O16 P2 | | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1 | | Synonyms: | ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC
(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)
ANHYDRIDE | | Definition date: | 2005-09-21 | | Last modified: | 2020-06-17 | | Identifier: | [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
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 | | UDR | | Name: | (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy
lbenzothioate | | Formula: | C27 H29 N3 O5 S | | SMILES: | O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C | | InChi: | InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+ | | Synonyms: | S-methyl
5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox
y-3-methylbenzenecarbothioate | | Definition date: | 2009-08-25 | | Last modified: | 2020-06-17 | | Identifier: | S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate |
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 | | UE1 | | Name: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-
1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate | | Formula: | C23 H27 N10 O13 S2 | | SMILES: | O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO | | InChi: | InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1 | | Synonyms: | MC-1 (open form) | | Definition date: | 2011-11-14 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate |
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 | | UF2 | | Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H12 F N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O | | InChi: | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | | Synonyms: | 2'-fluoro-2'-deoxyuridine | | Definition date: | 2011-11-04 | | Last modified: | 2020-06-17 | | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | UHD | | Name: | 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE | | Formula: | C18 H25 N O3 S | | SMILES: | O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC | | InChi: | InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3 | | Synonyms: | 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL | | Definition date: | 2004-03-29 | | Last modified: | 2020-06-17 | | Identifier: | 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione |
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 | | UM1 | | Name: | (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid | | Formula: | C8 H15 N3 O4 | | SMILES: | O=C(NC(C(=O)O)C)C(NC(=O)CN)C | | InChi: | InChI=1S/C8H15N3O4/c1-4(10-6(12)3-9)7(13)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t4-,5-/m1/s1 | | Synonyms: | glycyl-D-alanyl-D-alanine | | Definition date: | 2009-03-24 | | Last modified: | 2020-06-17 | | Identifier: | glycyl-D-alanyl-D-alanine |
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 | | UMG | | Name: | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | | Formula: | C34 H47 N3 O18 | | SMILES: | O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)CO)c4)C(=C5)C | | InChi: | InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+/m1/s1 | | Synonyms: | METHYLUMBELLIFERYL CHITOTRIOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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 | | UMO | | Name: | 2'-F-4'-OMe U | | Formula: | C10 H14 F N2 O9 P | | SMILES: | C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O | | InChi: | InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1 | | Synonyms: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate | | Definition date: | 2017-05-18 | | Last modified: | 2020-06-17 | | Release date: | 2017-10-04 | | Identifier: | [(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | UMP | | Name: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Synonyms: | DUMP | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-5'-uridylic acid |
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 | | UN3 | | Name: | (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID | | Formula: | C10 H11 N3 O3 S | | SMILES: | O=S(=O)(O)Nc1cc(nn1C)c2ccccc2 | | InChi: | InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16) | | Synonyms: | 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID | | Definition date: | 2005-12-01 | | Last modified: | 2020-06-17 | | Identifier: | (1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid |
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 | | UP6 | | Name: | 6-AZA URIDINE 5'-MONOPHOSPHATE | | Formula: | C8 H12 N3 O9 P | | SMILES: | O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1 | | Synonyms: | 6-AZA-UMP | | Definition date: | 2000-02-02 | | Last modified: | 2020-06-17 | | Identifier: | 2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione |
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 | | UPF | | Name: | URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE | | Formula: | C15 H23 F N2 O16 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1 | | Synonyms: | URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER | | Definition date: | 2000-11-30 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | UPL | | Name: | UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID | | Formula: | C34 H70 | | SMILES: | C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC | | InChi: | InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3 | | Synonyms: | UNKNOWN PHOSPHOLIPID FRAGMENT | | Definition date: | 2002-06-13 | | Last modified: | 2020-06-17 | | Identifier: | 12-nonylpentacosane |
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 | | UQ8 | | Name: | Ubiquinone-8 | | Formula: | C49 H74 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | | InChi: | InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ | | Synonyms: | 2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc
taen-1-yl]cyclohexa-2,5-diene-1,4-dione | | Definition date: | 2008-08-21 | | Last modified: | 2020-06-17 | | Identifier: | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione |
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 | | UQ9 | | Name: | Ubiquinone-9 | | Formula: | C54 H82 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)C | | InChi: | InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+ | | Synonyms: | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18
,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione | | Definition date: | 2009-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione |
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 | | URM | | Name: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic
(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)
anhydride | | Formula: | C16 H26 N2 O16 P2 | | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1 | | Synonyms: | Uridine diphospho methylene galactopyranose | | Definition date: | 2010-04-14 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid |
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 | | V35 | | Name: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | | Formula: | C10 H14 B Cl N O4 | | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1 | | Synonyms: | D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | | V36 | | Name: | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | | Formula: | C10 H14 B Cl N O4 | | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1 | | Synonyms: | L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | | VAK | | Name: | methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Formula: | C22 H20 O8 | | SMILES: | O=C(OC)C4c2c(c(O)c1C(=O)c3c(C(=O)c1c2)cccc3O)C(O)CC4(O)CC | | InChi: | InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1 | | Synonyms: | Aklavinone | | Definition date: | 2009-07-31 | | Last modified: | 2020-06-17 | | Identifier: | methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
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 | | VBN | | Name: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met
hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide | | Formula: | C35 H39 N5 O11 | | SMILES: | O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)C2N=C(OC2C)c3cccc(O)c3O)C4N=C(OC4C)c5cccc(O)c5O | | InChi: | InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19-,26+,27+/m1/s1 | | Synonyms: | vibriobactin | | Definition date: | 2011-04-06 | | Last modified: | 2020-06-17 | | Identifier: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
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 | | VBP | | Name: | 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid | | Formula: | C15 H15 N3 O6 | | SMILES: | O=C(O)c1ccc(cc1)CN2C(=O)C=CN(C2=O)CC(N)C(=O)O | | InChi: | InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m1/s1 | | Synonyms: | (S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)pyrimidine-2,4-dione | | Definition date: | 2009-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid |
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 | | VD1 | | Name: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL | | Formula: | C23 H36 O2 | | SMILES: | OC3C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CC)C)C3 | | InChi: | InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1 | | Synonyms: | 1-ALPHA-HYDROXY-2-METHYLENE-19-NOR-(20S)-BISHOMOPREGNACALCIFEROL | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-2-methylidene-17-[(1S)-1-methylpropyl]-9,10-secoestra-5,7-diene-1,3-diol |
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 | | VD2 | | Name: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL | | Formula: | C27 H46 O3 | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C | | InChi: | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22-,23+,24-,25-,27-/m1/s1 | | Synonyms: | 2-ALPHA-METHYL-19-NOR-1,25-DIHYDROXYVITAMIN D3 | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3R,5E,7E,17beta)-17-[(1R)-5-hydroxy-1,5-dimethylhexyl]-2-methyl-9,10-secoestra-5,7-diene-1,3-diol |
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