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HOQ
HOQ
表記:(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
組成式: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
定義日:2001-10-29
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(1R)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
KY7
KY7
表記:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 N4 O6 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-]
InChi:InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3-NO2
定義日:2019-01-23
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
HOV
HOV
表記: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
組成式: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
定義日:2016-02-25
最終更新日:2024-09-27
公開日:2016-06-22
識別子（ID）: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
HOX
HOX
表記:4-amino-L-phenylalanine
組成式: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
定義日:2009-08-25
最終更新日:2024-09-27
識別子（ID）:4-amino-L-phenylalanine
KYN
KYN
表記:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
組成式:C10 H12 N2 O3
SMILES:O=C(c1ccccc1N)CC(C(=O)O)N
InChi:InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
別名:L-KYNURENINE
定義日:2004-05-16
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
HP9
HP9
表記:(2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
組成式: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
定義日:2021-01-26
最終更新日:2024-09-27
公開日:2022-07-27
識別子（ID）:(2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
KYQ
KYQ
表記:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
組成式:C9 H16 N2 O5
SMILES:O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
定義日:2008-04-04
最終更新日:2024-09-27
識別子（ID）:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
HPD
HPD
表記:1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE
組成式: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
別名:OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
定義日:2001-06-20
最終更新日:2024-09-27
識別子（ID）:2-deoxy-5-O-phosphono-D-erythro-pentitol
HPE
HPE
表記:HOMOPHENYLALANINE
組成式: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
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-phenylbutanoic acid
HPH
HPH
表記:(2S)-2-amino-3-phenylpropane-1,1-diol
組成式: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
別名:(2S)-2-amino-3-phenylpropane-1,1-diol
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-phenylpropane-1,1-diol
KZ0
KZ0
表記:2,4,6-tris(chloromethyl)-1,3,5-triazine
組成式:C6 H6 Cl3 N3
SMILES:ClCc1nc(CCl)nc(CCl)n1
InChi:InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2
別名:Chemical crosslinker
定義日:2022-06-08
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:2,4,6-tris(chloromethyl)-1,3,5-triazine
KZ1
KZ1
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H12 F3 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2c(c(c(c(c2)F)O)F)F
InChi:InChI=1S/C14H12F3N3O4S/c15-6-1-5(10(16)11(17)12(6)23)2-8-14(24)20(3-9(21)22)13(19-8)7(18)4-25/h1-2,7,23,25H,3-4,18H2,(H,21,22)/b8-2-/t7-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ4
KZ4
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Br N3 O4 S
SMILES:NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(cc2)O)Br)CC(=O)O
InChi:InChI=1S/C14H14BrN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-Br
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ7
KZ7
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Cl N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-Cl
定義日:2019-01-25
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZG
KZG
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
組成式:C14 H14 I N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-I
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
HQ8
HQ8
表記:(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
組成式: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
定義日:2018-12-15
最終更新日:2024-09-27
公開日:2019-06-05
識別子（ID）:(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
HQA
HQA
表記:3-(8-hydroxyquinolin-3-yl)-L-alanine
組成式:C12 H12 N2 O3
SMILES:O=C(O)C(N)Cc1cc2cccc(O)c2nc1
InChi:InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:3-(8-hydroxyquinolin-3-yl)-L-alanine
HQC
HQC
表記:3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
組成式:C24 H25 N3 O6 S
SMILES:O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c2nc3c(cc2)cccc3O
InChi:InChI=1S/C24H25N3O6S/c28-14-16(13-21(30)31)26-23(32)17(20-8-4-12-34-20)6-1-2-11-25-24(33)18-10-9-15-5-3-7-19(29)22(15)27-18/h3-5,7-10,12,14,16-17,29H,1-2,6,11,13H2,(H,25,33)(H,26,32)(H,30,31)/t16-,17-/m0/s1
定義日:2004-01-09
最終更新日:2024-09-27
識別子（ID）:(3S)-3-{[(2R)-6-{[(8-hydroxyquinolin-2-yl)carbonyl]amino}-2-thiophen-2-ylhexanoyl]amino}-4-oxobutanoic acid
HQE
HQE
表記:benzene-1,4-diol
組成式:C6 H6 O2
SMILES:Oc1ccc(O)cc1
InChi:InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
定義日:2012-03-14
最終更新日:2024-09-27
識別子（ID）:benzene-1,4-diol
KZV
KZV
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
組成式:C14 H14 F N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3F
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZY
KZY
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H17 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)3-CH3
定義日:2019-01-28
最終更新日:2024-09-27
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
HQU
HQU
表記:3-HYDROXYQUINALDIC ACID
組成式:C10 H7 N O3
SMILES:O=C(O)c1nc2ccccc2cc1O
InChi:InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-hydroxyquinoline-2-carboxylic acid
HQV
HQV
表記:(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
組成式:C19 H29 N3 O16 P2 S
SMILES:C(C2C(C(C(N1C=CC(=O)NC1=O)O2)O)O)OP(OP(OC3C(C(O)C(O)C(CO)S3)NC([C@H]=CC)=O)(O)=O)(=O)O
InChi:InChI=1S/C19H29N3O16P2S/c1-2-3-10(24)20-12-15(28)14(27)9(6-23)41-18(12)37-40(33,34)38-39(31,32)35-7-8-13(26)16(29)17(36-8)22-5-4-11(25)21-19(22)30/h2-5,8-9,12-18,23,26-29H,6-7H2,1H3,(H,20,24)(H,31,32)(H,33,34)(H,21,25,30)/b3-2+/t8-,9-,12-,13-,14-,15-,16-,17-,18+/m1/s1
定義日:2018-07-18
最終更新日:2024-09-27
公開日:2019-11-06
識別子（ID）:(2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
HQY
HQY
表記:quinolin-8-ol
組成式:C9 H7 N O
SMILES:Oc1cccc2cccnc12
InChi:InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
別名:8-hydroxyquinoline
定義日:2009-10-28
最終更新日:2024-09-27
識別子（ID）:quinolin-8-ol
HQZ
HQZ
表記:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
組成式:C3 H11 B N O5 S
SMILES:O=S(=O)(NC([B-](O)(O)O)C)C
InChi:InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1
定義日:2012-08-01
最終更新日:2024-09-27
公開日:2013-08-21
識別子（ID）:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)

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