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AHH
AHH
表記:AMINO-HYDROXYHEPTANOIC ACID
組成式:C7 H15 N O3
SMILES:O=C(O)C(O)C(N)CCCC
InChi:InChI=1S/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S,3R)-3-amino-2-hydroxyheptanoic acid
AHO
AHO
表記:N-ACETYL-N-HYDROXY-L-ORNITHINE
組成式:C7 H14 N2 O4
SMILES:O=C(N(O)CCCC(N)C(=O)O)C
InChi:InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1
別名:5-(ACETYL-HYDROXY-AMINO)-2-AMINO-PENTANOIC ACID
定義日:1999-08-13
最終更新日:2024-09-27
識別子（ID）:N~5~-acetyl-N~5~-hydroxy-L-ornithine
AHP
AHP
表記:2-AMINO-HEPTANOIC ACID
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)CCCCC
InChi:InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
定義日:2000-06-15
最終更新日:2024-09-27
識別子（ID）:(2S)-2-aminoheptanoic acid
OF9
OF9
表記:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
組成式:C28 H32 F4 N4 O4
SMILES:O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4
InChi:InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1
定義日:2023-01-31
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
AHR
AHR
表記:alpha-L-arabinofuranose
組成式:C5 H10 O5
SMILES:OC1C(OC(O)C1O)CO
InChi:InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
別名:alpha-L-arabinose
定義日:2002-04-23
最終更新日:2024-09-27
識別子（ID）:alpha-L-arabinofuranose
OFH
OFH
表記:(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
組成式:C23 H24 Cl F6 N3 O5 S
SMILES:O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4
InChi:InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1
定義日:2013-05-28
最終更新日:2024-09-27
公開日:2014-06-11
識別子（ID）:(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
AHY
AHY
表記:(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID
組成式:C10 H21 N O3
SMILES:O=C(O)C(O)C(N)CCCCCCC
InChi:InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
定義日:2006-11-06
最終更新日:2024-09-27
識別子（ID）:(2S,3R)-3-amino-2-hydroxydecanoic acid
OFM
OFM
表記:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C24 H24 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2014-04-30
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
OFN
OFN
表記:~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
組成式:C41 H72 N7 O18 P3 S
SMILES:CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1
定義日:2020-03-02
最終更新日:2024-09-27
公開日:2020-05-13
識別子（ID）:~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
AI8
AI8
表記:Ceftaroline, bound form
組成式:C22 H23 N8 O5 S4
SMILES:[O-]C(=O)C=3NC(SCC=3Sc2nc(c1cc[n+](cc1)C)cs2)C(C=O)NC(=O)C(=NOCC)/c4nc(sn4)N
InChi:InChI=1S/C22H22N8O5S4/c1-3-35-28-16(17-27-21(23)39-29-17)18(32)24-12(8-31)19-26-15(20(33)34)14(10-36-19)38-22-25-13(9-37-22)11-4-6-30(2)7-5-11/h4-9,12,19,26H,3,10H2,1-2H3,(H3-,23,24,27,29,32,33,34)/t12-,19-/m1/s1
定義日:2012-12-13
最終更新日:2024-09-27
公開日:2013-10-09
識別子（ID）:(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-oxoethyl]-5-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
AIA
AIA
表記:(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
組成式:C14 H23 N3 O
SMILES:O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2
InChi:InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1
定義日:2006-03-28
最終更新日:2024-09-27
識別子（ID）:(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
AIB
AIB
表記:ALPHA-AMINOISOBUTYRIC ACID
組成式:C4 H9 N O2
SMILES:O=C(O)C(N)(C)C
InChi:InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-methyl-L-alanine
AIE
AIE
表記:3-ethanoyl-N-phenyl-benzamide
組成式:C15 H13 N O2
SMILES:CC(=O)c1cccc(c1)C(=O)Nc2ccccc2
InChi:InChI=1S/C15H13NO2/c1-11(17)12-6-5-7-13(10-12)15(18)16-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,18)
別名:AKOS000277907
定義日:2023-05-16
最終更新日:2024-09-27
公開日:2024-05-15
識別子（ID）:3-ethanoyl-~{N}-phenyl-benzamide
OG9
OG9
表記:(pyren-1-yl)acetic acid
組成式:C18 H12 O2
SMILES:O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
定義日:2022-04-29
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:(pyren-1-yl)acetic acid
AIO
AIO
表記:[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
組成式:C13 H26 B N3 O4
SMILES:O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC
InChi:InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1
定義日:2007-02-23
最終更新日:2024-09-27
識別子（ID）:[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid
OGC
OGC
表記:gamma-N-methyl-beta-OH-histidine
組成式:C7 H11 N3 O3
SMILES:Cn1cncc1[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1
別名:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
AIR
AIR
表記:5-AMINOIMIDAZOLE RIBONUCLEOTIDE
組成式:C8 H14 N3 O7 P
SMILES:O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
InChi:InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
定義日:1999-10-21
最終更新日:2024-09-27
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine
AIX
AIX
表記:(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14-/m1/s1
別名:AMPICILLIN (open form)
定義日:2009-07-02
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
OGQ
OGQ
表記:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C33 H32 N3 O4
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1
InChi:InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1
定義日:2020-03-06
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
AJ3
AJ3
表記:3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL
組成式:C6 H10 O S2
SMILES:O=S(CC=C)CC=CS
InChi:InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol
OGU
OGU
表記:2,3-diOH-butyric acid
組成式:C4 H8 O4
SMILES:C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
別名:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
OGX
OGX
表記:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
組成式:C12 H19 N6 O7 P S
SMILES:O=P(O)(OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O7PS/c13-11-16-9-8(10(20)17-11)15-12(21)18(9)7-3-5(19)6(25-7)4-24-26(22,23)14-1-2-27/h5-7,19,27H,1-4H2,(H,15,21)(H2,14,22,23)(H3,13,16,17,20)/t5-,6+,7+/m0/s1
定義日:2009-09-10
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
OGZ
OGZ
表記:[3-(trifluoromethyl)phenyl]methanamine
組成式:C8 H8 F3 N
SMILES:NCc1cccc(c1)C(F)(F)F
InChi:InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
定義日:2020-03-09
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:[3-(trifluoromethyl)phenyl]methanamine
OH
OH
表記:HYDROXIDE ION
組成式:H O
SMILES:[OH-]
InChi:InChI=1S/H2O/h1H2/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:hydroxide
OH0
OH0
表記:N-heptanoyl-N-hydroxy-beta-alanine
組成式:C10 H19 N O4
SMILES:O=C(O)CCN(O)C(=O)CCCCCC
InChi:InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)
定義日:2022-05-02
最終更新日:2024-09-27
公開日:2023-02-22
識別子（ID）:N-heptanoyl-N-hydroxy-beta-alanine

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