| 0O8 | Name: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate | Formula: | C25 H53 N O4 P | SMILES: | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 | Synonyms: | PERIFOSINE | Definition date: | 2012-03-29 | Last modified: | 2020-06-17 | Release date: | 2012-10-26 | Identifier: | 4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium |
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| 0OA | Name: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen
(S)-phosphate | Formula: | C35 H69 O10 P | SMILES: | O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1 | Synonyms: | phosphatidylinositol ether lipid analogue 24 (PIA24) | Definition date: | 2012-03-30 | Last modified: | 2020-06-17 | Release date: | 2012-10-26 | Identifier: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate |
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| I1P | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | Formula: | C21 H24 N8 O2 S | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | Definition date: | 2003-11-11 | Last modified: | 2020-06-17 | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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| 0P1 | Name: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl
}-L-alaninamide | Formula: | C29 H40 N3 O9 P | SMILES: | O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2 | InChi: | InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1 | Synonyms: | Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe | Definition date: | 2008-10-27 | Last modified: | 2020-06-17 | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide |
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| 0P2 | Name: | N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide | Formula: | C16 H25 B N2 O5 | SMILES: | O=C(NC(B(O)O)C(C)CC)C(NC(=O)OCc1ccccc1)C | InChi: | InChI=1S/C16H25BN2O5/c1-4-11(2)14(17(22)23)19-15(20)12(3)18-16(21)24-10-13-8-6-5-7-9-13/h5-9,11-12,14,22-23H,4,10H2,1-3H3,(H,18,21)(H,19,20)/t11-,12-,14-/m0/s1 | Synonyms: | ZAIB | Definition date: | 2008-09-14 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide |
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| I22 | Name: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE | Formula: | C7 H15 O10 P | SMILES: | O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O | InChi: | InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1 | Synonyms: | 7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE | Definition date: | 2006-09-11 | Last modified: | 2020-06-17 | Identifier: | 7-O-phosphono-D-altro-hept-2-ulose |
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| 0PI | Name: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine | Formula: | C21 H33 N2 O8 P | SMILES: | O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1 | Synonyms: | ZGP(O)LL | Definition date: | 2008-09-14 | Last modified: | 2020-06-17 | Identifier: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine |
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| 0PX | Name: | N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-ylcar
bonyl)-L-aspartamide | Formula: | C34 H51 N5 O5 | SMILES: | O=C(NCC(C)(C)C)C(C(C)C)CC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)CC(=O)N)CC3CCCCC3 | InChi: | InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1 | Synonyms: | U92163 | Definition date: | 2008-09-14 | Last modified: | 2020-06-17 | Identifier: | N~1~-{(2S,3S,5S)-1-cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methylheptan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
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| 0QF | Name: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp
holin-4-ylsulfonyl)-L-phenylalaninamide | Formula: | C31 H52 N4 O7 S2 | SMILES: | O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3 | InChi: | InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1 | Synonyms: | PD-133,450 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide |
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| I32 | Name: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile | Formula: | C16 H20 I N3 O2 | SMILES: | Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N | InChi: | InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1 | Synonyms: | IODOCYANOPINDOLOL | Definition date: | 2011-03-17 | Last modified: | 2020-06-17 | Identifier: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile |
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| 0R0 | Name: | 2-hydroxybenzonitrile | Formula: | C7 H5 N O | SMILES: | N#Cc1ccccc1O | InChi: | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | Synonyms: | 2-Cyanophenol | Definition date: | 2012-04-21 | Last modified: | 2020-06-17 | Release date: | 2012-08-31 | Identifier: | 2-hydroxybenzonitrile |
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| 0RN | Name: | SULBACTAM | Formula: | C8 H11 N O5 S | SMILES: | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C | InChi: | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | Synonyms: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | Definition date: | 2012-06-11 | Last modified: | 2020-06-17 | Release date: | 2012-09-21 | Identifier: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
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| 0RP | Name: | ethyl
(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H
)-carboxylate | Formula: | C26 H25 F9 N2 O4 | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN(C(=O)OC)C3c2c(ccc(c2)C(F)(F)F)N(C(=O)OCC)C(C3)CC | InChi: | InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 | Synonyms: | Torcetrapib | Definition date: | 2012-05-03 | Last modified: | 2020-06-17 | Release date: | 2012-08-31 | Identifier: | ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
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| 0RV | Name: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro
le-5-carboxylic acid | Formula: | C17 H25 N3 O6 S | SMILES: | O=C(O)C(C(O)C)C2N=C(C(SC1CC(C(=O)N(C)C)NC1)=C2C)C(=O)O | InChi: | InChI=1S/C17H25N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h8-12,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,11-,12-/m1/s1 | Synonyms: | Meropenem, hydroxylated form | Definition date: | 2012-05-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrrole-5-carboxylic acid |
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| 0SM | Name: | TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM | Formula: | C27 H58 N2 O6 P | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-26(25(2)30)24-35-36(32,33)34-23-22-29(3,4)5/h25-26,30H,6-24H2,1-5H3,(H-,28,31,32,33)/p+1/t25-,26-/m0/s1 | Synonyms: | N-OCTADECANOYL-D-ERYTHRO-SPHINGOSYLPHOSPHORYLCHOLINE | Definition date: | 2011-08-10 | Last modified: | 2020-06-17 | Release date: | 2012-09-14 | Identifier: | (4S,7S)-4-hydroxy-7-[(1S)-1-hydroxyethyl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide |
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| I59 | Name: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | Formula: | C11 H11 O4 P | SMILES: | O=P(O)(O)C(O)c2cccc1ccccc12 | InChi: | InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1 | Synonyms: | DPI59 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid |
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| 0T1 | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate | Formula: | C22 H38 N7 O16 P3 | SMILES: | O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1 | Synonyms: | DETHIACOENZYME A | Definition date: | 2012-05-29 | Last modified: | 2020-06-17 | Release date: | 2013-05-22 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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| 0TR | Name: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE | Formula: | C7 H6 O2 | SMILES: | OC1=CC=CC=CC1=O | InChi: | InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) | Synonyms: | TROPOLONE | Definition date: | 2011-02-17 | Last modified: | 2020-06-17 | Identifier: | 2-hydroxycyclohepta-2,4,6-trien-1-one |
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| 2TV | Name: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C11 H12 N2 O6 S | SMILES: | O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O | InChi: | InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1 | Synonyms: | N-formyl 7-aminocephalosporanic acid, bound form | Definition date: | 2014-01-30 | Last modified: | 2020-06-17 | Release date: | 2014-05-28 | Identifier: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| 2TX | Name: | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane | Formula: | C30 H50 O | SMILES: | O1C(C)(C)C1CCC(=CCCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C | InChi: | InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1 | Synonyms: | 2,3-Oxidosqualene | Definition date: | 2014-01-31 | Last modified: | 2020-06-17 | Release date: | 2015-04-15 | Identifier: | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane |
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| I7P | Name: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | Formula: | C6 H19 O27 P7 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ | Synonyms: | 1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate | Definition date: | 2011-08-08 | Last modified: | 2020-06-17 | Identifier: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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| 2UO | Name: | Mevastatin, Compactin | Formula: | C23 H34 O5 | SMILES: | CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12 | InChi: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | Synonyms: | (1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-
1-yl (2S)-2-methylbutanoate | Definition date: | 2014-02-12 | Last modified: | 2020-06-17 | Release date: | 2015-02-18 | Identifier: | [(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate |
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| 2V0 | Name: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C8 H12 N2 O4 S | SMILES: | O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C | InChi: | InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1 | Synonyms: | 7-aminodeacetoxycephalosporanic acid, hydrolyzed form | Definition date: | 2014-02-17 | Last modified: | 2020-06-17 | Release date: | 2014-05-28 | Identifier: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| 2V4 | Name: | rabelomycin | Formula: | C19 H14 O6 | SMILES: | O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O | InChi: | InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 | Synonyms: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione | Definition date: | 2014-02-19 | Last modified: | 2020-06-17 | Release date: | 2014-10-01 | Identifier: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
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| I8P | Name: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] | Formula: | C6 H20 O30 P8 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | InChi: | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1 | Synonyms: | 1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate | Definition date: | 2011-08-08 | Last modified: | 2020-06-17 | Identifier: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] |
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