 | | SCD | | Name: | SUCCINYL(CARBADETHIA)-COENZYME A | | Formula: | C26 H42 N7 O19 P3 | | SMILES: | O=C(O)CCC(=O)CCCNC(=O)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/C26H42N7O19P3/c1-26(2,21(39)24(40)29-9-7-16(35)28-8-3-4-14(34)5-6-17(36)37)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(38)25(50-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,38-39H,3-11H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t15-,19-,20-,21+,25-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | WLM | | Name: | 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE | | Formula: | C21 H23 Cl N4 O4 S2 | | SMILES: | COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)Nc3sc(nn3)C(C)C | | InChi: | InChI=1S/C21H23ClN4O4S2/c1-13(2)20-24-25-21(31-20)26-32(28,29)16-7-4-14(5-8-16)10-11-23-19(27)17-12-15(22)6-9-18(17)30-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,25,26) | | Definition date: | 2010-11-18 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-2-methoxy-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide |
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 | | SCO | | Name: | SUCCINAMIDE-COA | | Formula: | C25 H41 N8 O19 P3 | | SMILES: | O=C(O)CCC(=O)NCCNC(=O)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/C25H41N8O19P3/c1-25(2,20(39)23(40)29-6-5-15(35)28-8-7-27-14(34)3-4-16(36)37)10-49-55(46,47)52-54(44,45)48-9-13-19(51-53(41,42)43)18(38)24(50-13)33-12-32-17-21(26)30-11-31-22(17)33/h11-13,18-20,24,38-39H,3-10H2,1-2H3,(H,27,34)(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,26,30,31)(H2,41,42,43)/t13-,18-,19-,20+,24-/m1/s1 | | Definition date: | 2001-12-07 | | Last modified: | 2011-06-04 | | Identifier: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | SD2 | | Name: | N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE | | Formula: | C21 H30 N4 O5 S2 | | SMILES: | O=C(NC(C(=O)N)CCSC)C2N(C(=O)C(NC(=O)CS)Cc1ccc(O)cc1)CCC2 | | InChi: | InChI=1S/C21H30N4O5S2/c1-32-10-8-15(19(22)28)24-20(29)17-3-2-9-25(17)21(30)16(23-18(27)12-31)11-13-4-6-14(26)7-5-13/h4-7,15-17,26,31H,2-3,8-12H2,1H3,(H2,22,28)(H,23,27)(H,24,29)/t15-,16-,17-/m0/s1 | | Definition date: | 2003-07-10 | | Last modified: | 2011-06-04 | | Identifier: | N-(sulfanylacetyl)-L-tyrosyl-L-prolyl-L-methioninamide |
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 | | SDC | | Name: | S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE | | Formula: | C5 H12 N2 O4 S2 | | SMILES: | O=S(=O)(N)CCSCC(N)C(=O)O | | InChi: | InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1 | | Definition date: | 2003-10-08 | | Last modified: | 2011-06-04 | | Identifier: | S-(2-sulfamoylethyl)-L-cysteine |
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 | | SDP | | Name: | 2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID | | Formula: | C7 H16 N O6 P | | SMILES: | O=C(O)C(N)COP(=O)(OCC)OCC | | InChi: | InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2002-10-22 | | Last modified: | 2011-06-04 | | Identifier: | O-(diethoxyphosphoryl)-L-serine |
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 | | BA1 | | Name: | BALANOL | | Formula: | C28 H26 N2 O10 | | SMILES: | O=C(O)c1cccc(O)c1C(=O)c2c(O)cc(cc2O)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3 | | InChi: | InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid |
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 | | SDX | | Name: | s-citryldethia Coenzyme A | | Formula: | C28 H46 N7 O22 P3 | | SMILES: | O=C(O)C(O)(CC(=O)O)CC(=O)CCCNC(=O)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/C28H46N7O22P3/c1-27(2,21(41)24(42)31-7-5-16(37)30-6-3-4-14(36)8-28(45,26(43)44)9-17(38)39)11-54-60(51,52)57-59(49,50)53-10-15-20(56-58(46,47)48)19(40)25(55-15)35-13-34-18-22(29)32-12-33-23(18)35/h12-13,15,19-21,24-25,31,40-42,45H,3-11H2,1-2H3,(H,30,37)(H,38,39)(H,43,44)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48)/t15-,19-,20-,21+,24+,25-,28-/m1/s1 | | Definition date: | 2008-09-16 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-{(11S,12R,16R,18S)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-11,12,16,18-tetrahydroxy-13,13-dimethyl-16,18-dioxido-2,7-dioxo-15,17,19-trioxa-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name) |
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 | | SDZ | | Name: | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | | Formula: | C24 H33 N3 O2 | | SMILES: | OC(CN2CCN(c1ncccc1)CC2)COc3ccc(cc3)C4CCCCC4 | | InChi: | InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-(4-cyclohexylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol |
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 | | BAA | | Name: | (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE | | Formula: | C11 H21 N3 O4 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N)C)C | | InChi: | InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-L-alaninamide |
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 | | BAF | | Name: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE | | Formula: | C11 H21 N3 O4 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C | | InChi: | InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide |
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 | | SEB | | Name: | O-BENZYLSULFONYL-SERINE | | Formula: | C10 H13 N O5 S | | SMILES: | O=C(O)C(N)COS(=O)(=O)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 1999-08-12 | | Last modified: | 2011-06-04 | | Identifier: | O-(benzylsulfonyl)-L-serine |
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 | | BAN | | Name: | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | | Formula: | C21 H23 N5 O7 | | SMILES: | O=C(Nc1ccc(cc1)[N+]([O-])=O)CNC(=O)C(NC(=O)C(C(=O)NO)Cc2ccccc2)C | | InChi: | InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide |
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 | | SEN | | Name: | O-[N,N-dimethylphosphoramidate]-L-serine | | Formula: | C5 H13 N2 O5 P | | SMILES: | O=P(O)(OCC(N)C(=O)O)N(C)C | | InChi: | InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1 | | Definition date: | 2008-06-27 | | Last modified: | 2011-06-04 | | Identifier: | O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine |
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 | | BAY | | Name: | N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE | | Formula: | C64 H82 N4 O10 S2 | | SMILES: | O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C(NC(=O)C(NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc3c2ccccc2ccc3)C(C)C)Cc4ccccc4)C(C)C)Cc6c5ccccc5ccc6 | | InChi: | InChI=1S/C64H82N4O10S2/c1-41(2)55(67-59(71)49(39-79(75,76)63(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)61(73)65-53(35-43-23-13-11-14-24-43)57(69)58(70)54(36-44-25-15-12-16-26-44)66-62(74)56(42(3)4)68-60(72)50(40-80(77,78)64(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-58,69-70H,35-40H2,1-10H3,(H,65,73)(H,66,74)(H,67,71)(H,68,72)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-{[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino}-3-methylbutanamide) (non-preferred name) |
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 | | SET | | Name: | AMINOSERINE | | Formula: | C3 H8 N2 O2 | | SMILES: | O=C(N)C(N)CO | | InChi: | InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | L-serinamide |
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 | | BC1 | | Name: | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID | | Formula: | C19 H17 N3 O3 | | SMILES: | O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C | | InChi: | InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24) | | Definition date: | 2002-06-18 | | Last modified: | 2011-06-04 | | Identifier: | N-[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine |
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 | | BCA | | Name: | 4-HYDROXYBENZOYL COENZYME A | | Formula: | C28 H40 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccc(O)cc4 | | InChi: | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-hydroxybenzenecarbothioate (non-preferred name) |
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 | | SGB | | Name: | O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE | | Formula: | C7 H16 N O5 P | | SMILES: | O=P(OCC(N)C(=O)O)(OC(C)C)C | | InChi: | InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2011-06-04 | | Identifier: | O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine |
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 | | SGI | | Name: | 3-(4-hydroxyphenyl)propanamide | | Formula: | C9 H11 N O2 | | SMILES: | O=C(N)CCc1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12) | | Definition date: | 2007-09-19 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-hydroxyphenyl)propanamide |
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 | | BCQ | | Name: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | | Formula: | C31 H42 N4 O8 S2 | | SMILES: | O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4 | | InChi: | InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1 | | Definition date: | 2006-02-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide |
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 | | BCT | | Name: | BICARBONATE ION | | Formula: | C H O3 | | SMILES: | [O-]C(=O)O | | InChi: | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | hydrogen carbonate |
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 | | SGL | | Name: | 1-HYDROXY-1-THIO-GLYCEROL | | Formula: | C3 H8 O3 S | | SMILES: | OCC(O)CSO | | InChi: | InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2,3-dihydroxypropane-1-sulfenic acid |
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 | | SGM | | Name: | MONOTHIOGLYCEROL | | Formula: | C3 H8 O2 S | | SMILES: | OCC(O)CS | | InChi: | InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-sulfanylpropane-1,2-diol |
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 | | BCV | | Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE | | Formula: | C14 H23 N3 O6 S | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)C1CC1 | | InChi: | InChI=1S/C14H23N3O6S/c15-8(13(20)21)2-1-3-10(18)16-9(6-24)12(19)17-11(14(22)23)7-4-5-7/h7-9,11,24H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1 | | Definition date: | 2006-06-13 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(1R)-2-{[(R)-carboxy(cyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
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