 | | 7DL | | Name: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Formula: | C29 H30 Cl2 N8 O3 | | SMILES: | C(=O)([C@H]=Cc1cc(Cl)ccc1n2nnnc2)NC4c5nc(c3ccc(NC(OC)=O)cc3CCCCCCC4)c(Cl)n5 | | InChi: | InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1 | | Synonyms: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate | | Definition date: | 2016-10-11 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-01 | | Identifier: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate |
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 | | 7E1 | | Name: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid | | Formula: | C30 H27 Cl O7 S | | SMILES: | c1c(ccc(c1)O)C4=C(c2ccc([C@H]=CCCCC(O)=O)cc2)C5C(S(Oc3cc(Cl)ccc3)(=O)=O)CC4O5 | | InChi: | InChI=1S/C30H27ClO7S/c31-22-6-4-7-24(17-22)38-39(35,36)26-18-25-28(20-13-15-23(32)16-14-20)29(30(26)37-25)21-11-9-19(10-12-21)5-2-1-3-8-27(33)34/h2,4-7,9-17,25-26,30,32H,1,3,8,18H2,(H,33,34)/t25-,26+,30+/m0/s1 | | Synonyms: | (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Definition date: | 2016-10-13 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid |
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 | | 7ED | | Name: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate | | Formula: | C42 H50 O8 | | SMILES: | CCC(C(c1ccc(O)cc1)C(OCCCCCCCCOC(=O)C(C(CC)c2ccc(cc2)O)c3ccc(cc3)O)=O)c4ccc(O)cc4 | | InChi: | InChI=1S/C42H50O8/c1-3-37(29-11-19-33(43)20-12-29)39(31-15-23-35(45)24-16-31)41(47)49-27-9-7-5-6-8-10-28-50-42(48)40(32-17-25-36(46)26-18-32)38(4-2)30-13-21-34(44)22-14-30/h11-26,37-40,43-46H,3-10,27-28H2,1-2H3/t37-,38?,39+,40?/m1/s1 | | Synonyms: | octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) | | Definition date: | 2016-10-14 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate |
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 | | 7F6 | | Name: | (1R,2R)-1,2-diphenylethane-1,2-diol | | Formula: | C14 H14 O2 | | SMILES: | C(C(c1ccccc1)O)(O)c2ccccc2 | | InChi: | InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1 | | Synonyms: | cis-stilbene epoxide, bound form | | Definition date: | 2016-10-17 | | Last modified: | 2021-03-13 | | Release date: | 2017-10-11 | | Identifier: | (1R,2R)-1,2-diphenylethane-1,2-diol |
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 | | 7GC | | Name: | 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide | | Formula: | C11 H11 N3 O3 S2 | | SMILES: | Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O | | InChi: | InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15) | | Synonyms: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide | | Definition date: | 2016-10-19 | | Last modified: | 2021-03-13 | | Release date: | 2018-04-18 | | Identifier: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide |
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 | | PAU | | Name: | PANTOTHENOIC ACID | | Formula: | C9 H17 N O5 | | SMILES: | O=C(NCCC(=O)O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 | | Synonyms: | N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE | | Definition date: | 2004-03-26 | | Last modified: | 2021-03-13 | | Identifier: | N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine |
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 | | PAY | | Name: | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | | Formula: | C12 H18 O8 | | SMILES: | O=C(O)C(C)CC(C(=O)O)CC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7+,8+/m0/s1 | | Synonyms: | (3R,5R,7S)-OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | | Definition date: | 2007-07-27 | | Last modified: | 2021-03-13 | | Identifier: | (3R,5R,7S)-octane-1,3,5,7-tetracarboxylic acid |
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 | | PB3 | | Name: | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | | Formula: | C22 H22 N4 O2 | | SMILES: | O=C(c2ncnc(C(=O)NCc1cccc(c1)C)c2)NCc3cccc(c3)C | | InChi: | InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28) | | Synonyms: | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | | Definition date: | 2004-10-28 | | Last modified: | 2021-03-13 | | Identifier: | N,N'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide |
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 | | PB5 | | Name: | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE | | Formula: | C18 H16 N6 O2 | | SMILES: | O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3 | | InChi: | InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26) | | Synonyms: | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | | Definition date: | 2004-10-28 | | Last modified: | 2021-03-13 | | Identifier: | N,N'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide |
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 | | 7JE | | Name: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide | | Formula: | C29 H24 F N3 O4 | | SMILES: | Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 | | InChi: | InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m1/s1 | | Synonyms: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide |
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 | | 7JF | | Name: | 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C20 H11 F3 N2 O2 | | SMILES: | Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14 | | InChi: | InChI=1S/C20H11F3N2O2/c21-12-5-1-10(2-6-12)14-15(11-3-7-13(22)8-4-11)17(23)19(26)18-16(14)20(27)25-9-24-18/h1-9,26H,(H,24,25,27) | | Synonyms: | 7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JH | | Name: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C13 H11 N3 O2 S | | SMILES: | Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2 | | InChi: | InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18) | | Synonyms: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-22 | | Identifier: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | PC9 | | Name: | (7R,14S)-14,15-DIBROMO-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE | | Formula: | C42 H83 Br2 N O8 P | | SMILES: | BrC(CCCCCCCCCCC)C(Br)CCCCC(=O)OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H82Br2NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-32-41(46)50-36-38(37-52-54(48,49)51-35-34-45(3,4)5)53-42(47)33-29-28-31-40(44)39(43)30-26-24-22-20-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3/p+1/t38-,39+,40+/m1/s1 | | Synonyms: | 6,7-DIBROMO-PHOSPHATIDYLCHOLINE | | Definition date: | 2006-06-27 | | Last modified: | 2021-03-13 | | Identifier: | (4S,7R,14S,15S)-14,15-dibromo-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide |
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 | | PCW | | Name: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C44 H85 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1 | | Synonyms: | (Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE | | Definition date: | 2004-04-28 | | Last modified: | 2021-03-13 | | Identifier: | (4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide |
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 | | B71 | | Name: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | | Formula: | C17 H32 N O7 P2 | | SMILES: | O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCCCCC)c1 | | InChi: | InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)/p+1 | | Synonyms: | 2-(3-DECYLOXY-PYRIDINUM-1-YL)-1,1-BISPHOSPHONIC ACID | | Definition date: | 2007-01-30 | | Last modified: | 2021-03-13 | | Identifier: | 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium |
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 | | B75 | | Name: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID | | Formula: | C24 H23 N O9 P2 S | | SMILES: | O=S(=O)(Nc1cc(ccc1)c2cccc(c2)CC(O)(P(=O)(O)O)P(=O)(O)O)c4cc3ccccc3cc4 | | InChi: | InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32) | | Synonyms: | (1-HYDROXY-2-{3'-[(2-NAPHTHYLSULFONYL)AMINO]BIPHENYL-3-YL}ETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID) | | Definition date: | 2007-01-30 | | Last modified: | 2021-03-13 | | Identifier: | (1-hydroxy-2-{3'-[(naphthalen-2-ylsulfonyl)amino]biphenyl-3-yl}ethane-1,1-diyl)bis(phosphonic acid) |
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 | | PDY | | Name: | N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | | Formula: | C20 H26 N6 O | | SMILES: | n3c(NC1CCCNC1)c(c(Nc2ccc(OCC)cc2)n4nccc34)C | | InChi: | InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1 | | Synonyms: | {5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine | | Definition date: | 2009-05-19 | | Last modified: | 2021-03-13 | | Identifier: | N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
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 | | PEF | | Name: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE | | Formula: | C37 H74 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 | | Synonyms: | 3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL | | Definition date: | 2000-05-24 | | Last modified: | 2021-03-13 | | Identifier: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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 | | B83 | | Name: | 2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid | | Formula: | C27 H28 N2 O4 | | SMILES: | C[CH]1C[CH](C)CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(O)=O | | InChi: | InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)/t18-,19+ | | Synonyms: | 2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid | | Definition date: | 2009-08-10 | | Last modified: | 2021-03-13 | | Identifier: | 2-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-phenoxy-phenyl]carbonylamino]benzoic acid |
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 | | PFA | | Name: | [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL | | Formula: | C20 H21 N3 O4 | | SMILES: | O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2)C)C)C(=O)N3 | | InChi: | InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26) | | Synonyms: | 2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE | | Definition date: | 2002-11-18 | | Last modified: | 2021-03-13 | | Identifier: | 2-{4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl}-1,2,4-triazine-3,5(2H,4H)-dione |
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 | | PHH | | Name: | 4,5,6,7-TETRACHLORO-PHTHALIDE | | Formula: | C8 H2 Cl4 O2 | | SMILES: | O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl | | InChi: | InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2 | | Synonyms: | 4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE | | Definition date: | 2000-10-25 | | Last modified: | 2021-03-13 | | Identifier: | 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one |
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 | | PIK | | Name: | (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate | | Formula: | C41 H81 O19 P3 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36+,37-,38-,39+,40+,41+/m0/s1 | | Synonyms: | PI(4,5)P2 dipalmitoyl (16:0,16:0) | | Definition date: | 2014-06-11 | | Last modified: | 2021-03-13 | | Release date: | 2014-07-30 | | Identifier: | (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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 | | PIO | | Name: | [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Formula: | C25 H49 O19 P3 | | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC | | InChi: | InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1 | | Synonyms: | dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate | | Definition date: | 2000-12-01 | | Last modified: | 2021-03-13 | | Identifier: | (2R)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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 | | PIT | | Name: | PICEATANNOL | | Formula: | C14 H12 O4 | | SMILES: | Oc2ccc(C=Cc1cc(O)cc(O)c1)cc2O | | InChi: | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+ | | Synonyms: | 4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL | | Definition date: | 2007-07-05 | | Last modified: | 2021-03-13 | | Identifier: | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
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 | | PIU | | Name: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM | | Formula: | C16 H21 N2 O2 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C | | InChi: | InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1 | | Synonyms: | 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM | | Definition date: | 2005-04-22 | | Last modified: | 2021-03-13 | | Identifier: | 2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridinium |
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