 | | HMY | | Name: | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione | | Formula: | C19 H22 O8 | | SMILES: | O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(O)C3O)C | | InChi: | InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1 | | Synonyms: | Hypothemycin | | Definition date: | 2008-02-19 | | Last modified: | 2024-09-27 | | Identifier: | (1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione |
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 | | 2PP | | Name: | 2-PROPYL-PENTANOIC ACID | | Formula: | C8 H16 O2 | | SMILES: | O=C(O)C(CCC)CCC | | InChi: | InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-propylpentanoic acid |
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 | | HNC | | Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine | | Formula: | C12 H23 N O4 S | | SMILES: | O=C(O)C(N)CSC(C(O)CCCCC)CC=O | | InChi: | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 | | Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal | | Definition date: | 2009-09-17 | | Last modified: | 2024-09-27 | | Identifier: | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
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 | | HNE | | Name: | (2E,4R)-4-HYDROXYNON-2-ENAL | | Formula: | C9 H16 O2 | | SMILES: | O=C/C=C/C(O)CCCCC | | InChi: | InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1 | | Definition date: | 2006-08-22 | | Last modified: | 2024-09-27 | | Identifier: | (2E,4R)-4-hydroxynon-2-enal |
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 | | HNO | | Name: | N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine | | Formula: | C12 H13 Cl2 N3 | | SMILES: | CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17) | | Definition date: | 2021-01-20 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | ~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine |
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 | | 2Q7 | | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide | | Formula: | C27 H35 F2 N11 O4 | | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | | InChi: | InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33) | | Definition date: | 2021-06-30 | | Last modified: | 2024-09-27 | | Release date: | 2022-04-06 | | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide |
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 | | HOA | | Name: | HYDROXYAMINE | | Formula: | H3 N O | | SMILES: | ON | | InChi: | InChI=1S/H3NO/c1-2/h2H,1H2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | hydroxylamine |
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 | | 2QY | | Name: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid | | Formula: | C10 H11 N O3 | | SMILES: | O=C(O)/C(=C/c1ccc(O)cc1)NC | | InChi: | InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6- | | Definition date: | 2014-01-09 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-02 | | Identifier: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
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 | | 2QZ | | Name: | N,N-dimethyl-L-threonine | | Formula: | C6 H13 N O3 | | SMILES: | O=C(O)C(N(C)C)C(O)C | | InChi: | InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-02 | | Identifier: | N,N-dimethyl-L-threonine |
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 | | 2R1 | | Name: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid | | Formula: | C6 H9 N O4 | | SMILES: | O=C(O)/C(N)=C(/CO)C1OC1 | | InChi: | InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-02 | | Identifier: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
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 | | 2R3 | | Name: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine | | Formula: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(OC)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-02 | | Identifier: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
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 | | HOM | | Name: | 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN | | Formula: | C12 H12 O4 | | SMILES: | O=C2Oc1cc(O)ccc1C(=C2CCO)C | | InChi: | InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one |
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 | | HOO | | Name: | (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid | | Formula: | C6 H7 N3 O4 | | SMILES: | N[CH](CC1=NC(=O)NC1=O)C(O)=O | | InChi: | InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1 | | Definition date: | 2018-06-07 | | Last modified: | 2024-09-27 | | Release date: | 2019-02-27 | | Identifier: | (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid |
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 | | HOQ | | Name: | (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | | Formula: | C11 H19 N O5 S | | SMILES: | O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C | | InChi: | InChI=1S/C11H19NO5S/c1-10(2,17)5(8(13)14)7-12-6(9(15)16)11(3,4)18-7/h5-7,12,17H,1-4H3,(H,13,14)(H,15,16)/t5-,6-,7+/m0/s1 | | Definition date: | 2001-10-29 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | 2RA | | Name: | 3-amino-D-alanine | | Formula: | C3 H8 N2 O2 | | SMILES: | O=C(O)C(N)CN | | InChi: | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1 | | Synonyms: | diaminopropanoic acid | | Definition date: | 2010-09-27 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-D-alanine |
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 | | HOV | | Name: | ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Formula: | C32 H43 N5 O7 | | SMILES: | CCOC(=O)CCC(NC(=O)C1N(CCC1c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O | | InChi: | InChI=1S/C32H43N5O7/c1-5-43-26(38)12-11-23(18-22-13-15-33-29(22)39)34-31(41)28-24(21-9-7-6-8-10-21)14-16-37(28)32(42)27(19(2)3)35-30(40)25-17-20(4)44-36-25/h6-10,17,19,22-24,27-28H,5,11-16,18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,27-,28-/m0/s1 | | Definition date: | 2016-02-25 | | Last modified: | 2024-09-27 | | Release date: | 2016-06-22 | | Identifier: | N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(3R)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-3-phenyl-L-prolinamide |
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 | | HOX | | Name: | 4-amino-L-phenylalanine | | Formula: | C9 H12 N2 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(N)cc1 | | InChi: | InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2009-08-25 | | Last modified: | 2024-09-27 | | Identifier: | 4-amino-L-phenylalanine |
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 | | 2RG | | Name: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid | | Formula: | C22 H27 N3 O7 S | | SMILES: | O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3 | | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1 | | Synonyms: | ERTAPENEM, bound form POST-ISOMERIZED | | Definition date: | 2010-04-07 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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 | | 2RI | | Name: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide | | Formula: | C30 H26 F N3 O4 | | SMILES: | C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3 | | InChi: | InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1 | | Definition date: | 2021-07-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-21 | | Identifier: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide |
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 | | HP9 | | Name: | (2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid | | Formula: | C16 H12 F N O4 | | SMILES: | N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O | | InChi: | InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1 | | Definition date: | 2021-01-26 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-27 | | Identifier: | (2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid |
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 | | HPD | | Name: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE | | Formula: | C5 H13 O7 P | | SMILES: | O=P(O)(O)OCC(O)C(O)CCO | | InChi: | InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1 | | Synonyms: | OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE | | Definition date: | 2001-06-20 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | HPE | | Name: | HOMOPHENYLALANINE | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)C(N)CCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-phenylbutanoic acid |
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 | | HPH | | Name: | (2S)-2-amino-3-phenylpropane-1,1-diol | | Formula: | C9 H13 N O2 | | SMILES: | OC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 | | Synonyms: | (2S)-2-amino-3-phenylpropane-1,1-diol | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-phenylpropane-1,1-diol |
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 | | 2RX | | Name: | O-thiophosphono-L-serine | | Formula: | C3 H8 N O5 P S | | SMILES: | O=P(OCC(C(=O)O)N)(O)S | | InChi: | InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1 | | Definition date: | 2014-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-28 | | Identifier: | O-thiophosphono-L-serine |
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 | | HQ8 | | Name: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol | | Formula: | C6 H12 O5 | | SMILES: | O[CH]1C[CH](O)[CH](O)C(O)[CH]1O | | InChi: | InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1 | | Definition date: | 2018-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2019-06-05 | | Identifier: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol |
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