 | | OCA | | Name: | OCTANOIC ACID (CAPRYLIC ACID) | | Formula: | C8 H16 O2 | | SMILES: | O=C(O)CCCCCCC | | InChi: | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | octanoic acid |
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 | | T8D | | Name: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C10 H13 Cl N2 O3 S2 | | SMILES: | N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | | P6F | | Name: | 1,6-di-O-phosphono-D-fructose | | Formula: | C6 H14 O12 P2 | | SMILES: | O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O | | InChi: | InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2024-09-27 | | Identifier: | 1,6-di-O-phosphono-D-fructose |
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 | | SER | | Name: | SERINE | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(N)CO | | InChi: | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-serine |
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 | | OSS | | Name: | 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID | | Formula: | C11 H23 N O3 S3 | | SMILES: | O=C(O)CCCCC(SSCCO)CCSCN | | InChi: | InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (6S)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid |
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 | | OCE | | Name: | octanedioic acid | | Formula: | C8 H14 O4 | | SMILES: | O=C(O)CCCCCCC(=O)O | | InChi: | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) | | Definition date: | 2010-05-26 | | Last modified: | 2024-09-27 | | Identifier: | octanedioic acid |
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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: | 2024-09-27 | | Identifier: | L-serinamide |
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 | | MPQ | | Name: | N-METHYL-ALPHA-PHENYL-GLYCINE | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)C(NC)c1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1 | | Synonyms: | METHYLAMINO-PHENYL-ACETIC ACID | | Definition date: | 1999-10-15 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-(methylamino)(phenyl)ethanoic acid |
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 | | MPR | | Name: | 2-MERCAPTO-PROPION ALDEHYDE | | Formula: | C3 H6 O S | | SMILES: | O=CCCS | | InChi: | InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-sulfanylpropanal |
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 | | T8J | | Name: | 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one | | Formula: | C11 H14 N2 O2 S | | SMILES: | N1(CCN(CC1)C(C)=O)C(c2cccs2)=O | | InChi: | InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one |
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 | | LX5 | | Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate | | Formula: | C6 H12 O7 S | | SMILES: | OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O | | InChi: | InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1 | | Definition date: | 2019-09-26 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-26 | | Identifier: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
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 | | R74 | | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | | Formula: | C18 H19 N3 O4 S | | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | | Definition date: | 2020-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-08-05 | | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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 | | MPT | | Name: | BETA-MERCAPTOPROPIONIC ACID | | Formula: | C3 H6 O2 S | | SMILES: | O=C(O)CCS | | InChi: | InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) | | Definition date: | 2001-01-26 | | Last modified: | 2024-09-27 | | Identifier: | 3-sulfanylpropanoic acid |
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 | | P6N | | Name: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one | | Formula: | C11 H12 O | | SMILES: | C[CH]1CCc2ccccc2C1=O | | InChi: | InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1 | | Definition date: | 2020-04-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-29 | | Identifier: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one |
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 | | 1QI | | Name: | (2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid | | Formula: | C15 H23 N O3 | | SMILES: | CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O | | InChi: | InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1 | | Definition date: | 2021-06-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | (2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid |
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 | | SEZ | | Name: | 1,3,5-trimethylbenzene | | Formula: | C9 H12 | | SMILES: | Cc1cc(C)cc(C)c1 | | InChi: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 | | Synonyms: | mesitylene | | Definition date: | 2020-11-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 1,3,5-trimethylbenzene |
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 | | T8M | | Name: | 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one | | Formula: | C11 H16 N2 O S | | SMILES: | N1(CCN(CC1)C(C)=O)Cc2cccs2 | | InChi: | InChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one |
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 | | L3F | | Name: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate | | Formula: | C22 H28 N2 O4 | | SMILES: | CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2 | | InChi: | InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | | Synonyms: | benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate | | Definition date: | 2022-06-14 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-05 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate |
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 | | 8LJ | | Name: | (2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C5 H7 N O2 | | SMILES: | C(=O)(O)C1NC=CC1 | | InChi: | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)/t4-/m0/s1 | | Definition date: | 2017-02-13 | | Last modified: | 2024-09-27 | | Release date: | 2018-02-14 | | Identifier: | (2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | TO4 | | Name: | propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate | | Formula: | C15 H30 F O2 P | | SMILES: | P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C | | InChi: | InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1 | | Synonyms: | 11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester | | Definition date: | 2020-03-25 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-08 | | Identifier: | propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate |
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 | | 1QL | | Name: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C16 H19 N3 O7 S2 | | SMILES: | O=CC(OC)(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)N | | InChi: | InChI=1S/C16H19N3O7S2/c1-25-16(8-20,19-11(21)5-10-3-2-4-27-10)14-18-12(13(22)23)9(7-28-14)6-26-15(17)24/h2-4,8,14,18H,5-7H2,1H3,(H2,17,24)(H,19,21)(H,22,23)/t14-,16+/m1/s1 | | Synonyms: | Cefoxitin, bound form | | Definition date: | 2013-04-26 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-12 | | Identifier: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | OT0 | | Name: | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C22 H31 Cl2 N3 O3 | | SMILES: | C[CH]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl | | InChi: | InChI=1S/C22H31Cl2N3O3/c1-15-11-22(12-16(2)30-15,26-19-5-3-18(24)4-6-19)21(29)27-9-7-17(8-10-27)14-25-20(28)13-23/h3-6,15-17,26H,7-14H2,1-2H3,(H,25,28)/t15-,16+,22+ | | Synonyms: | RU78299 | | Definition date: | 2022-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | T8P | | Name: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one | | Formula: | C13 H18 N2 O2 | | SMILES: | N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C | | InChi: | InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
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 | | R7A | | Name: | S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Formula: | C10 H17 Br N O3 S2 | | SMILES: | BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C | | InChi: | InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3 | | Definition date: | 2005-07-19 | | Last modified: | 2024-09-27 | | Identifier: | S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
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 | | LXB | | Name: | 2-acetamido-2-deoxy-beta-D-gulopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1 | | Synonyms: | N-acetyl-beta-D-gulosamine | | Definition date: | 2008-07-23 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-2-deoxy-beta-D-gulopyranose |
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