 | | 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: | 2024-09-27 | | Identifier: | (2R)-3-sulfanylpropane-1,2-diol |
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 | | SGR | | Name: | O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE | | Formula: | C4 H11 N2 O5 P | | SMILES: | O=P(OC)(OCC(N)C(=O)O)N | | InChi: | InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(R)-amino(methoxy)phosphoryl]-L-serine |
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 | | SGX | | Name: | O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE | | Formula: | C4 H11 N2 O5 P | | SMILES: | O=P(OC)(OCC(N)C(=O)O)N | | InChi: | InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(S)-amino(methoxy)phosphoryl]-L-serine |
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 | | SGZ | | Name: | 2-naphthalen-1-ylethanal | | Formula: | C12 H10 O | | SMILES: | O=CCc1cccc2ccccc12 | | InChi: | InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2 | | Definition date: | 2020-11-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-01 | | Identifier: | 2-naphthalen-1-ylethanal |
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 | | SH1 | | Name: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE | | Formula: | C20 H34 N6 O6 S | | SMILES: | O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C | | InChi: | InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide |
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 | | SHF | | Name: | LAEVULINIC ACID | | Formula: | C5 H8 O3 | | SMILES: | O=C(C)CCC(=O)O | | InChi: | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) | | Synonyms: | LEVULINIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-oxopentanoic acid |
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 | | SHG | | Name: | 2-deoxy-2-fluoro-beta-D-glucopyranose | | Formula: | C6 H11 F O5 | | SMILES: | FC1C(O)C(O)C(OC1O)CO | | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 | | Synonyms: | 2-deoxy-2-fluoro-beta-D-glucose | | Definition date: | 2009-01-17 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-2-fluoro-beta-D-glucopyranose |
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 | | SHL | | Name: | 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | | Formula: | C7 H6 O5 | | SMILES: | O=C1C=C(OC(=C1O)C)C(=O)O | | InChi: | InChI=1S/C7H6O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2,9H,1H3,(H,10,11) | | Synonyms: | Comenic acid | | Definition date: | 2012-09-14 | | Last modified: | 2024-09-27 | | Release date: | 2012-09-21 | | Identifier: | 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid |
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 | | 7MG | | Name: | 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H18 N5 O8 P | | SMILES: | O=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 7-methylguanosine 5'-(dihydrogen phosphate) |
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 | | SHO | | Name: | 5-HYDROXYLAEVULINIC ACID | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)CCCCO | | InChi: | InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8) | | Synonyms: | 5-HYDROXYPENTANOIC ACID | | Definition date: | 2004-07-11 | | Last modified: | 2024-09-27 | | Identifier: | 5-hydroxypentanoic acid |
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 | | SHU | | Name: | 4,6-DIOXOHEPTANOIC ACID | | Formula: | C7 H10 O4 | | SMILES: | O=C(CC(=O)C)CCC(=O)O | | InChi: | InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) | | Synonyms: | SUCCINYLACETONE | | Definition date: | 2001-07-09 | | Last modified: | 2024-09-27 | | Identifier: | 4,6-dioxoheptanoic acid |
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 | | SHV | | Name: | HEPTANOIC ACID | | Formula: | C7 H14 O2 | | SMILES: | O=C(O)CCCCCC | | InChi: | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) | | Definition date: | 2004-04-19 | | Last modified: | 2024-09-27 | | Identifier: | heptanoic acid |
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 | | SHW | | Name: | S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate | | Formula: | C19 H37 N2 O9 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC | | InChi: | InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1 | | Definition date: | 2009-10-15 | | Last modified: | 2024-09-27 | | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate |
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 | | SI3 | | Name: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid | | Formula: | C11 H19 N O9 | | SMILES: | O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1 | | Synonyms: | N-acetylneuraminic acid, ketone form | | Definition date: | 2013-01-04 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-06 | | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid |
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 | | SIA | | Name: | N-acetyl-alpha-neuraminic acid | | Formula: | C11 H19 N O9 | | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 | | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1 | | Synonyms: | N-acetylneuraminic acid | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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 | | 7N0 | | Name: | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid | | Formula: | C7 H10 O3 | | SMILES: | OC(=O)C[CH]1CCCC1=O | | InChi: | InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1 | | Definition date: | 2016-11-22 | | Last modified: | 2024-09-27 | | Release date: | 2018-11-07 | | Identifier: | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid |
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 | | SIC | | Name: | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid | | Formula: | C7 H10 N2 O4 S | | SMILES: | O=C1N(C(=O)CC1N)C(C(=O)O)CS | | InChi: | InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1 | | Definition date: | 2008-06-24 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid |
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 | | 7N4 | | Name: | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid | | Formula: | C13 H11 B Cl F O2 | | SMILES: | B(c1cc(c(cc1)OCc2ccccc2F)Cl)O | | InChi: | InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2 | | Definition date: | 2016-11-21 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-06 | | Identifier: | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid |
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 | | 7N7 | | Name: | naphthalen-2-ylboronic acid | | Formula: | C10 H9 B O2 | | SMILES: | c1c2c(cc(B(O)O)c1)cccc2 | | InChi: | InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H | | Definition date: | 2016-11-21 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-06 | | Identifier: | naphthalen-2-ylboronic acid |
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 | | 7N8 | | Name: | 4-Borono-L-phenylalanine | | Formula: | C9 H12 B N O4 | | SMILES: | N[CH](Cc1ccc(cc1)B(O)O)C(O)=O | | InChi: | InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2016-11-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-10-11 | | Identifier: | (2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid |
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 | | SIL | | Name: | [(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE | | Formula: | C12 H23 O5 P | | SMILES: | O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C | | InChi: | InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1 | | Synonyms: | O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE | | Definition date: | 2003-10-16 | | Last modified: | 2024-09-27 | | Identifier: | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate |
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 | | SIN | | Name: | SUCCINIC ACID | | Formula: | C4 H6 O4 | | SMILES: | O=C(O)CCC(=O)O | | InChi: | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | butanedioic acid |
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 | | 7ND | | Name: | (3-bromo-5-phenoxyphenyl)boronic acid | | Formula: | C12 H10 B Br O3 | | SMILES: | Brc1cc(cc(c1)B(O)O)Oc2ccccc2 | | InChi: | InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H | | Definition date: | 2016-11-21 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-06 | | Identifier: | (3-bromo-5-phenoxyphenyl)boronic acid |
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 | | 7NF | | Name: | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid | | Formula: | C7 H7 N O4 S | | SMILES: | CCOC(=O)c1scc(n1)C(O)=O | | InChi: | InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10) | | Definition date: | 2016-11-27 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-20 | | Identifier: | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid |
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 | | 7NP | | Name: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one | | Formula: | C12 H14 O2 | | SMILES: | O=C2c1c(ccc(OC)c1)CCC2C | | InChi: | InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1 | | Synonyms: | Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE | | Definition date: | 2014-06-09 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-23 | | Identifier: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one |
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