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: 35418 件 BIRD

V5N

V5N
表記:	(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
組成式:	C6 H9 N3 O3
SMILES:	N[CH]([CH](O)c1[nH]cnc1)C(O)=O
InChi:	InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
定義日:	2021-04-19
最終更新日:	2023-11-03
公開日:	2021-06-02
識別子（ID）:	(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid

YTF

YTF
表記:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
組成式:	C9 H18 N2 O3
SMILES:	CCOC(=O)CC[CH](N)CCC(N)=O
InChi:	InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1
定義日:	2023-02-21
最終更新日:	2023-11-03
公開日:	2023-03-01
識別子（ID）:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate

YTH

YTH
表記:	O-phosphono-L-allothreonine
組成式:	C4 H10 N O6 P
SMILES:	O=P(OC(C)C(N)C(=O)O)(O)O
InChi:	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
定義日:	2014-10-07
最終更新日:	2023-11-03
公開日:	2014-12-03
識別子（ID）:	O-phosphono-L-allothreonine

V61

V61
表記:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
組成式:	C9 H6 F4 I N O2
SMILES:	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:	InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
定義日:	2020-07-06
最終更新日:	2023-11-03
公開日:	2021-07-07
識別子（ID）:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

ZHW

ZHW
表記:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
組成式:	C9 H10 F N O3 S
SMILES:	FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:	InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
定義日:	2023-03-10
最終更新日:	2023-11-03
公開日:	2023-07-05
識別子（ID）:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate

ZIQ

ZIQ
表記:	alpha-methyl-L-tryptophan
組成式:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
定義日:	2018-06-13
最終更新日:	2023-11-03
公開日:	2020-01-01
識別子（ID）:	alpha-methyl-L-tryptophan

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:	2023-11-03
識別子（ID）:	4-amino-L-phenylalanine

V7T

V7T
表記:	(2R)-6-azanyl-2-carbamimidamido-hexanoic acid
組成式:	C7 H16 N4 O2
SMILES:	NCCCC[CH](NC(N)=N)C(O)=O
InChi:	InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
定義日:	2021-04-23
最終更新日:	2023-11-03
公開日:	2022-04-06
識別子（ID）:	(2~{R})-6-azanyl-2-carbamimidamido-hexanoic 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:	2023-11-03
公開日:	2022-07-27
識別子（ID）:	(2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid

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:	2023-11-03
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:	2023-11-03
識別子（ID）:	(2S)-2-amino-3-phenylpropane-1,1-diol

YHA

YHA
表記:	Homocitrulline
組成式:	C7 H15 N3 O3
SMILES:	NC(CCCCNC(N)=O)C(=O)O
InChi:	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
別名:	N~6~-carbamoyl-L-lysine
定義日:	2021-03-04
最終更新日:	2023-11-03
公開日:	2022-05-25
識別子（ID）:	N~6~-carbamoyl-L-lysine

V8N

V8N
表記:	2-[3-(aminomethyl)phenyl]ethanoic acid
組成式:	C9 H11 N O2
SMILES:	NCc1cccc(CC(O)=O)c1
InChi:	InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
定義日:	2021-04-29
最終更新日:	2023-11-03
公開日:	2022-04-06
識別子（ID）:	2-[3-(aminomethyl)phenyl]ethanoic acid

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:	2023-11-03
識別子（ID）:	3-(8-hydroxyquinolin-3-yl)-L-alanine

V9C

V9C
表記:	2-phenylethylcarbamic acid
組成式:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
定義日:	2017-01-09
最終更新日:	2023-11-03
公開日:	2017-11-15
識別子（ID）:	2-phenylethylcarbamic acid

YYA

YYA
表記:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
組成式:	C11 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(CC=C/C=C)C
InChi:	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
定義日:	2010-11-19
最終更新日:	2023-11-03
識別子（ID）:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid

YJF

YJF
表記:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:	C20 H27 N3 O11 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
定義日:	2023-06-19
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol

YJO

YJO
表記:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:	C20 H28 N3 O10 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S+](O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H28N3O10S2/c24-7-10-14(26)13(23-6-12(21-22-23)35(31)9-4-2-1-3-5-9)16(28)19(32-10)34-20-18(30)17(29)15(27)11(8-25)33-20/h1-6,10-11,13-20,24-31H,7-8H2/q+1/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+,35-/m1/s1
定義日:	2023-06-19
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	[1-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]-1,2,3-triazol-4-yl]-oxidanyl-phenyl-sulfanium

HSE

HSE
表記:	L-HOMOSERINE
組成式:	C4 H9 N O3
SMILES:	O=C(O)C(N)CCO
InChi:	InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
定義日:	2000-02-02
最終更新日:	2023-11-03
識別子（ID）:	L-homoserine

HSK

HSK
表記:	3-hydroxy-L-histidine
組成式:	C6 H9 N3 O3
SMILES:	O=C(O)C(N)Cc1cncn1O
InChi:	InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1
定義日:	2014-05-01
最終更新日:	2023-11-03
公開日:	2014-09-03
識別子（ID）:	3-hydroxy-L-histidine

HSO

HSO
表記:	L-histidinol
組成式:	C6 H12 N3 O
SMILES:	NC(CO)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium

HSV

HSV
表記:	L-histidinal
組成式:	C6 H10 N3 O
SMILES:	NC(C=O)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:	2015-06-17
最終更新日:	2023-11-03
識別子（ID）:	4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium

HT0

HT0
表記:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
組成式:	C10 H9 N O5
SMILES:	O=C(O)C1NC(=O)OC1c1ccc(O)cc1
InChi:	InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
定義日:	2021-03-10
最終更新日:	2023-11-03
公開日:	2022-12-07
識別子（ID）:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

ZNY

ZNY
表記:	(4R)-4-ethoxy-L-proline
組成式:	C7 H13 N O3
SMILES:	CCOC1CC(NC1)C(=O)O
InChi:	InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
定義日:	2021-05-12
最終更新日:	2023-11-03
公開日:	2022-03-02
識別子（ID）:	(4R)-4-ethoxy-L-proline

HT7

HT7
表記:	(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID
組成式:	C12 H14 N2 O2
SMILES:	O=C(O)CC(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
別名:	BETA-HOMOTRYPTOPHAN
定義日:	2011-05-18
最終更新日:	2023-11-03
識別子（ID）:	(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid

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