Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 39969 件 BIRD

G6M

G6M
表記:	2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
組成式:	C16 H19 Cl F N3 O4
SMILES:	c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3
InChi:	InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1
別名:	oxazolidinone antibiotic LZD-6
定義日:	2018-05-10
最終更新日:	2021-03-01
公開日:	2019-03-20
識別子（ID）:	2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide

G90

G90
表記:	2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
組成式:	C22 H25 N3 O2
SMILES:	N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2
InChi:	InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1
別名:	BUCINDOLOL
定義日:	2012-03-11
最終更新日:	2021-03-01
識別子（ID）:	2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile

G9A

G9A
表記:	(2E)-pent-2-enedioic acid
組成式:	C5 H6 O4
SMILES:	O=C(O)C=CCC(=O)O
InChi:	InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
別名:	Glutaconic acid
定義日:	2014-08-12
最終更新日:	2021-03-01
公開日:	2014-09-24
識別子（ID）:	(2E)-pent-2-enedioic acid

GAH

GAH
表記:	N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE
組成式:	C38 H61 N11 O6
SMILES:	O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4
InChi:	InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1
別名:	TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE
定義日:	2004-10-14
最終更新日:	2021-03-01
識別子（ID）:	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide

GBJ

GBJ
表記:	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
組成式:	C20 H20 O4
SMILES:	O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C
InChi:	InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
別名:	glabridin
定義日:	2013-10-24
最終更新日:	2021-03-01
公開日:	2014-02-19
識別子（ID）:	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

GBL

GBL
表記:	GAMMA-BUTYROLACTONE
組成式:	C4 H6 O2
SMILES:	O=C1OCCC1
InChi:	InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
別名:	DIHYDROFURAN-2(3H)-ONE
定義日:	2006-01-04
最終更新日:	2021-03-01
識別子（ID）:	dihydrofuran-2(3H)-one

GBO

GBO
表記:	(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
組成式:	C20 H35 N3 O9 P2 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C
InChi:	InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1
別名:	Biotin-GPP
定義日:	2008-10-15
最終更新日:	2021-03-01
識別子（ID）:	(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate

GBX

GBX
表記:	2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID
組成式:	C30 H27 N3 O9 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5
InChi:	InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1
別名:	GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE
定義日:	1999-07-08
最終更新日:	2021-03-01
識別子（ID）:	L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine

607

607
表記:	2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
組成式:	C24 H19 N5 O5
SMILES:	[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3N)c4
InChi:	InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
別名:	CRA_18607
定義日:	2003-03-14
最終更新日:	2021-03-01
識別子（ID）:	(2R)-2-(2'-amino-5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-oxidobiphenyl-3-yl)butanedioate

617

617
表記:	2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID
組成式:	C15 H12 Cl N O4
SMILES:	Clc2ccc(OCC(=O)Nc1ccccc1C(=O)O)cc2
InChi:	InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
別名:	2-(2-(4-CHLOROPHENOXY)ACETAMIDO)BENZOIC ACID
定義日:	2007-06-26
最終更新日:	2021-03-01
識別子（ID）:	2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid

61T

61T
表記:	[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
組成式:	C19 H20 F3 N5 O5 S2
SMILES:	N[S](=O)(=O)OC[CH]1C[CH](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[CH](O)[CH]1O
InChi:	InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
別名:	MLN7243
定義日:	2016-01-14
最終更新日:	2021-03-01
公開日:	2017-06-14
識別子（ID）:	[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

629

629
表記:	[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID
組成式:	C17 H25 N3 O9
SMILES:	O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO
InChi:	InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1
別名:	SB-239629
定義日:	2001-07-05
最終更新日:	2021-03-01
識別子（ID）:	(2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid

64U

64U
表記:	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
組成式:	C21 H30 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)CC2CCCCC2)CCC3
InChi:	InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
別名:	(2S)-1-((2R)-2-amino-3-cyclohexyl-propanoyl)-N-((3-chlorophenyl)methyl)pyrrolidine-2-carboxamide
定義日:	2008-07-23
最終更新日:	2021-03-01
識別子（ID）:	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

655

655
表記:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
組成式:	C19 H20 N4 O2
SMILES:	[O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
別名:	CRA_10655
定義日:	2003-03-14
最終更新日:	2021-03-01
識別子（ID）:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate

656

656
表記:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
組成式:	C18 H20 N4 O2
SMILES:	[O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
別名:	CRA_10656
定義日:	2003-03-14
最終更新日:	2021-03-01
識別子（ID）:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate

65D

65D
表記:	octyl 3,4,5-trihydroxybenzoate
組成式:	C15 H22 O5
SMILES:	Oc1c(O)cc(C(OCCCCCCCC)=O)cc1O
InChi:	InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
別名:	Octyl gallate
定義日:	2016-01-27
最終更新日:	2021-03-01
公開日:	2017-01-25
識別子（ID）:	octyl 3,4,5-trihydroxybenzoate

660

660
表記:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid
組成式:	C16 H26 N2 O16 P2
SMILES:	OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11-,12+,13+,14-,15-/m1/s1
別名:	UDP-glucose phosphonate
定義日:	2016-02-02
最終更新日:	2021-03-01
公開日:	2016-03-09
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid

66P

66P
表記:	4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
組成式:	C18 H21 N5 O
SMILES:	C=1(C=CNC(=O)C=1c2nc3c(n2)cccc3)NC4CCC(CC4)N
InChi:	InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
別名:	4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one
定義日:	2016-02-04
最終更新日:	2021-03-01
公開日:	2016-03-16
識別子（ID）:	4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one

675

675
表記:	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE
組成式:	C18 H15 N3 O
SMILES:	O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3
InChi:	InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
別名:	6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE
定義日:	2003-04-09
最終更新日:	2021-03-01
識別子（ID）:	6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide

679

679
表記:	2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID
組成式:	C17 H10 Cl2 N2 O4
SMILES:	O=C2C(Nc1ccc(Cl)c(C(=O)O)c1)=C(C(=O)N2)c3cccc(Cl)c3
InChi:	InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
別名:	I-5
定義日:	2003-08-06
最終更新日:	2021-03-01
識別子（ID）:	2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid

681

681
表記:	2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE
組成式:	C23 H30 N6 O4
SMILES:	O=C2C(N)=CN=C(c1ccccc1)N2CC(=O)NC(C(O)c3nnc(o3)C(C)(C)C)C(C)C
InChi:	InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m0/s1
別名:	ONO-6818
定義日:	2000-10-16
最終更新日:	2021-03-01
識別子（ID）:	2-(5-amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)-N-{(1S)-1-[(S)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-2-methylpropyl}acetamide

687

687
表記:	N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE
組成式:	C31 H34 N3 O8 P
SMILES:	O=Cc1cc(ccc1OP(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:	InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
別名:	RU84687
定義日:	2003-06-20
最終更新日:	2021-03-01
識別子（ID）:	Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-O-phosphono-L-tyrosinamide

688

688
表記:	2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
組成式:	C22 H17 N5 O5
SMILES:	O=C(O)c2cc(nc(Oc1cc(C(=[N@H])N)ccc1O)c2)Oc3cccc(c3)c4nccn4
InChi:	InChI=1S/C22H17N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-11,28H,(H3,23,24)(H,25,26)(H,29,30)
別名:	ZK-806688
定義日:	1999-07-08
最終更新日:	2021-03-01
識別子（ID）:	2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid

696

696
表記:	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE
組成式:	C21 H17 N3 O
SMILES:	[O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
別名:	CRA_8696
定義日:	2003-03-14
最終更新日:	2021-03-01
識別子（ID）:	3-{5-[amino(iminio)methyl]-1H-indol-2-yl}biphenyl-2-olate

69O

69O
表記:	2-oxopentanoic acid
組成式:	C5 H8 O3
SMILES:	CCCC(C(O)=O)=O
InChi:	InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
別名:	2-Ketopentanoic acid
定義日:	2016-02-22
最終更新日:	2021-03-01
公開日:	2016-03-09
識別子（ID）:	2-oxopentanoic acid

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