 | | SPU | | Name: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium | | Formula: | C23 H50 N2 O5 P | | SMILES: | O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1 | | Synonyms: | sphingosylphosphorylcholine, sphingosine phosphorylcholine | | Definition date: | 2009-07-28 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
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 | | SB9 | | Name: | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | | Formula: | C10 H14 N2 O2 | | SMILES: | O=CN(O)CCCc1nc(ccc1)C | | InChi: | InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3 | | Synonyms: | SB-505684 | | Definition date: | 2005-08-16 | | Last modified: | 2020-06-17 | | Identifier: | N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]formamide |
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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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 | | TY0 | | Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one | | Formula: | C14 H21 N O3 | | SMILES: | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 | | InChi: | InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1 | | Synonyms: | Z-Phe-Tyr(OBut)-COCHO | | Definition date: | 2010-11-01 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
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 | | AXO | | Name: | (1E)-N-hydroxyethanimine | | Formula: | C2 H5 N O | | SMILES: | N(/O)=CC | | InChi: | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ | | Synonyms: | Acetaldoxime | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (1E)-N-hydroxyethanimine |
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 | | SQ | | Name: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE | | Formula: | C7 H12 N2 O2 | | SMILES: | O=C1C(=O)C(NCC)C1NC | | InChi: | InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3 | | Synonyms: | SQUARIC ACID | | Definition date: | 2002-08-13 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione |
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 | | PI2 | | Name: | 2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL] -6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-8-YL}-ACETAMIDE | | Formula: | C23 H36 N4 O5 | | SMILES: | O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1CC(=O)N)cc2 | | InChi: | InChI=1S/C23H36N4O5/c1-15(2)9-10-25-14-20(28)18-12-16-5-7-17(8-6-16)32-11-3-4-22(30)26-19(13-21(24)29)23(31)27-18/h5-8,15,18-20,25,28H,3-4,9-14H2,1-2H3,(H2,24,29)(H,26,30)(H,27,31)/t18-,19-,20+/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide |
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 | | RI5 | | Name: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c
yclopropa[a]azulene-4,8(3H)-dione | | Formula: | C15 H16 O6 | | SMILES: | O=C3OC4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C | | InChi: | InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1 | | Synonyms: | PICROTOXIN | | Definition date: | 2011-04-15 | | Last modified: | 2020-06-17 | | Identifier: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione |
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 | | PI3 | | Name: | 11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10-
DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE | | Formula: | C24 H39 N3 O4 | | SMILES: | O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2 | | InChi: | InChI=1S/C24H39N3O4/c1-16(2)11-12-25-15-21(28)20-14-18-7-9-19(10-8-18)31-13-5-6-22(29)27-23(17(3)4)24(30)26-20/h7-10,16-17,20-21,23,25,28H,5-6,11-15H2,1-4H3,(H,26,30)(H,27,29)/t20-,21+,23-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-8-(1-methylethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione |
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 | | AXT | | Name: | ASTAXANTHIN | | Formula: | C40 H52 O4 | | SMILES: | O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C(=O)C(O)CC1(C)C)C)C)C)C)C)C(C)(C)CC2O)C | | InChi: | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 | | Synonyms: | 3,3'-DIHYDROXY-BETA,BETA-CAROTENE-4,4'-DIONE | | Definition date: | 2001-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione |
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 | | P3D | | Name: | (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C13 H22 N3 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C | | InChi: | InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+ | | Synonyms: | PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | | Definition date: | 2007-05-16 | | Last modified: | 2020-06-17 | | Identifier: | (4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | PI7 | | Name: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]
HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE | | Formula: | C36 H53 N5 O7 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(C)C)CC | | InChi: | InChI=1S/C36H53N5O7/c1-6-23(5)33-35(46)37-17-8-18-48-27-15-11-25(12-16-27)20-29(34(45)41-33)38-21-30(43)28(19-24-9-13-26(42)14-10-24)39-36(47)32(22(3)4)40-31(44)7-2/h9-16,22-23,28-30,32-33,38,42-43H,6-8,17-21H2,1-5H3,(H,37,46)(H,39,47)(H,40,44)(H,41,45)/t23-,28-,29-,30+,32-,33-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-N~2~-propanoyl-L-valinamide |
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 | | 4KL | | Name: | Xanthuric acid | | Formula: | C10 H7 N O4 | | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | | Synonyms: | Xanthurenate | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-18 | | Identifier: | 4,8-dihydroxyquinoline-2-carboxylic acid |
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 | | 4KO | | Name: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia
-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C15 H17 N7 O5 S3 | | SMILES: | N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O | | InChi: | InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1 | | Synonyms: | Cefmetazole | | Definition date: | 2013-05-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | PWK | | Name: | 4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol) | | Formula: | C20 H26 O4 | | SMILES: | Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2 | | InChi: | InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1 | | Synonyms: | Dihydroguaiaretic acid | | Definition date: | 2014-04-02 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-26 | | Identifier: | 4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol) |
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 | | PIB | | Name: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL
BUTANOATE | | Formula: | C17 H32 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)O)CCC | | InChi: | InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14+,15+,16+,17-/m0/s1 | | Synonyms: | D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO | | Definition date: | 2001-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-{[(S)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate |
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 | | 4KR | | Name: | 7-aminocephalosporanic acid | | Formula: | C10 H12 N2 O5 S | | SMILES: | O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C | | InChi: | InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1 | | Synonyms: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Definition date: | 2013-05-29 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | 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) |
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 | | 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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 | | RIO | | Name: | RIBOSTAMYCIN | | Formula: | C17 H34 N4 O10 | | SMILES: | O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 | | Synonyms: | 5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY
]-TETRAHYDRO-PYRAN-3,4-DIOL | | Definition date: | 2002-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
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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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 | | TYP | | Name: | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | | Formula: | C14 H16 N2 O3 | | SMILES: | O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3 | | InChi: | InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1 | | Synonyms: | (3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | RIS | | Name: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID | | Formula: | C7 H11 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1 | | InChi: | InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15) | | Synonyms: | Risedronate | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
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 | | PIN | | Name: | PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | | Formula: | C8 H18 N2 O6 S2 | | SMILES: | O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1 | | InChi: | InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16) | | Synonyms: | PIPES | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2,2'-piperazine-1,4-diyldiethanesulfonic acid |
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