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: 43993 件 BIRD

DDE

DDE
表記:	{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM
組成式:	C13 H24 N5 O3
SMILES:	O=C(O)C(N)Cc1nc(nc1)CCC(C(=O)N)[N+](C)(C)C
InChi:	InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1
別名:	DIPHTHAMIDE
定義日:	2004-07-29
最終更新日:	2023-11-03
識別子（ID）:	(2R)-1-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxobutan-2-aminium

DDZ

DDZ
表記:	3,3-DIHYDROXY L-ALANINE
組成式:	C3 H7 N O4
SMILES:	O=C(O)C(N)C(O)O
InChi:	InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1
別名:	3-HYDROXY-L-SERINE
定義日:	2000-06-06
最終更新日:	2023-11-03
識別子（ID）:	3-hydroxy-L-serine

DFF

DFF
表記:	4-benzoyl-D-phenylalanine
組成式:	C16 H15 N O3
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1
定義日:	2013-12-24
最終更新日:	2023-11-03
公開日:	2014-05-21
識別子（ID）:	4-benzoyl-D-phenylalanine

DFI

DFI
表記:	2,2-DIFLUOROSTATINE
組成式:	C8 H15 F2 N O3
SMILES:	FC(F)(C(=O)O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptanoic acid

DFO

DFO
表記:	2,2-DIFLUORO-3-HYDROSTATINE
組成式:	C8 H15 F2 N O4
SMILES:	FC(F)(C(=O)O)C(O)(O)C(N)CC(C)C
InChi:	InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(4S)-4-amino-2,2-difluoro-3,3-dihydroxy-6-methylheptanoic acid

APD

APD
表記:	3-METHYLPHENYLALANINE
組成式:	C10 H13 N O2
SMILES:	O=C(O)C(N)Cc1cccc(c1)C
InChi:	InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
定義日:	2001-09-28
最終更新日:	2023-11-03
識別子（ID）:	3-methyl-L-phenylalanine

API

API
表記:	2,6-DIAMINOPIMELIC ACID
組成式:	C7 H14 N2 O4
SMILES:	O=C(O)C(N)CCCC(C(=O)O)N
InChi:	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(2R,6S)-2,6-diaminoheptanedioic acid

APN

APN
表記:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE
組成式:	C11 H16 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+]
InChi:	InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	2-{[(6-amino-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium

APY

APY
表記:	2-AMINOMETHYL-PYRIDINE
組成式:	C6 H8 N2
SMILES:	n1ccccc1CN
InChi:	InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	1-pyridin-2-ylmethanamine

AR0

AR0
表記:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
組成式:	C14 H25 N5 O3
SMILES:	O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
定義日:	2010-09-17
最終更新日:	2023-11-03
識別子（ID）:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol

AR7

AR7
表記:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
組成式:	C6 H17 N4 O2
SMILES:	OC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1
定義日:	2010-09-24
最終更新日:	2023-11-03
識別子（ID）:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium

ARG

ARG
表記:	ARGININE
組成式:	C6 H15 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium

ARM

ARM
表記:	DEOXY-METHYL-ARGININE
組成式:	C7 H16 N4 O
SMILES:	O=C(C)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	1-[(4S)-4-amino-5-oxohexyl]guanidine

ARO

ARO
表記:	C-GAMMA-HYDROXY ARGININE
組成式:	C6 H15 N4 O3
SMILES:	O=C(O)C(N)CC(O)CNC(N)=[NH2+]
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4+/m1/s1
定義日:	2000-09-05
最終更新日:	2023-11-03
識別子（ID）:	amino{[(2R,4S)-4-amino-2,5-dihydroxy-5-oxopentyl]amino}methaniminium

ASA

ASA
表記:	ASPARTIC ALDEHYDE
組成式:	C4 H7 N O3
SMILES:	O=CC(N)CC(=O)O
InChi:	InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(3S)-3-amino-4-oxobutanoic acid

ASB

ASB
表記:	ASPARTIC ACID-4-CARBOXYMETHYL ESTER
組成式:	C6 H9 N O6
SMILES:	O=C(OCC(=O)O)CC(C(=O)O)N
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name)

ASJ

ASJ
表記:	(3S)-3-amino-4-hydroxybutanoic acid
組成式:	C4 H9 N O3
SMILES:	O=C(O)CC(N)CO
InChi:	InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
定義日:	2010-10-07
最終更新日:	2023-11-03
識別子（ID）:	(3S)-3-amino-4-hydroxybutanoic acid

ASL

ASL
表記:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
組成式:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
定義日:	1999-09-09
最終更新日:	2023-11-03
識別子（ID）:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

ASN

ASN
表記:	ASPARAGINE
組成式:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	L-asparagine

ASP

ASP
表記:	ASPARTIC ACID
組成式:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	L-aspartic acid

ASX

ASX
表記:	ASP/ASN AMBIGUOUS
組成式:	C4 H6 N O2 X2
SMILES:	C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
定義日:	1999-07-08
最終更新日:	2023-11-03

AUX

AUX
表記:	4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE
組成式:	C21 H29 N2 O3
SMILES:	CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1
定義日:	2015-05-14
最終更新日:	2023-11-03
公開日:	2015-12-29
識別子（ID）:	(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid

AY0

AY0
表記:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
組成式:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
定義日:	2010-10-09
最終更新日:	2023-11-03
識別子（ID）:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

AZ1

AZ1
表記:	AZELAIC ACID
組成式:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
定義日:	2004-07-07
最終更新日:	2023-11-03
識別子（ID）:	nonanedioic acid

AZH

AZH
表記:	AZIDOHOMOALANINE
組成式:	C4 H9 N4 O2
SMILES:	O=C(O)C(N)CCN=[N+]=[N@H]
InChi:	InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1
定義日:	2010-08-09
最終更新日:	2023-11-03
識別子（ID）:	1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium

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