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: 5198 件 BIRD

GLW

GLW
表記:	6-DEOXYGLUCOSE
組成式:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
定義日:	2001-12-06
最終更新日:	2008-10-14
識別子（ID）:	6-deoxy-alpha-D-glucopyranose

TRB

TRB
表記:	4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
組成式:	C16 H20 Cl N3 S
SMILES:	S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)CC=C(/C)C
InChi:	InChI=1/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1/f/h18H
別名:	9-CL-TIBO
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

AFL

AFL
表記:	ALPHA-L-FUCOSE
組成式:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
定義日:	2002-09-19
最終更新日:	2008-10-14
識別子（ID）:	6-deoxy-beta-L-galactopyranose

AGC

AGC
表記:	ALPHA-D-GLUCOSE
組成式:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
定義日:	2003-10-15
最終更新日:	2008-10-14
識別子（ID）:	alpha-D-glucopyranose

E4N

E4N
表記:	TETRAETHYLAMMONIUM ION
組成式:	C8 H20 N
SMILES:	CC[N+](CC)(CC)CC
InChi:	InChI=1/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	N,N,N-triethylethanaminium

345

345
表記:	4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE
組成式:	C19 H20 Cl N O6 S
SMILES:	O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:	InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide

395

395
表記:	S-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
組成式:	C23 H26 F N O4
SMILES:	O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChi:	InChI=1/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1/f/h25,28H
別名:	BMS270395
定義日:	2000-05-10
最終更新日:	2008-10-14
識別子（ID）:	3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid

119

119
表記:	TETRAPHENYLPHOSPHONIUM ION
組成式:	C24 H20 P
SMILES:	c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:	InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
定義日:	2000-05-09
最終更新日:	2008-10-14
識別子（ID）:	tetraphenylphosphonium

MHM

MHM
表記:	[7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON
組成式:	C34 H32 Fe N4 O4
SMILES:	O=C(O)CCC=1C7=[N+]4C(C=1C)=Cc5c(C=C)c(c6C=C8[N+]3=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C=C)C)C
InChi:	InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
別名:	MESOHEME
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)

GUR

GUR
表記:	GLYCOLURIL
組成式:	C4 H6 N4 O2
SMILES:	O=C1NC2NC(=O)NC2N1
InChi:	InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

NEW

NEW
表記:	3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL
組成式:	C12 H6 Cl4 O2
SMILES:	Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2
InChi:	InChI=1/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
定義日:	2006-02-24
最終更新日:	2008-10-14
識別子（ID）:	3,3',5,5'-tetrachlorobiphenyl-4,4'-diol

638

638
表記:	[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
組成式:	C41 H38 N6 O5 S2
SMILES:	O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7
InChi:	InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H
別名:	XV638
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide)

MOL

MOL
表記:	3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
組成式:	C15 H19 N3 O2
SMILES:	O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
InChi:	InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde

OR5

OR5
表記:	OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE
組成式:	C5 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CO
InChi:	InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H
定義日:	2004-08-19
最終更新日:	2008-10-14
識別子（ID）:	5-O-phosphono-D-ribitol

OTE

OTE
表記:	2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL
組成式:	C16 H34 O5
SMILES:	O(CCCCCCCC)CCOCCOCCOCCO
InChi:	InChI=1/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	3,6,9,12-tetraoxaicosan-1-ol

BP
表記:	(-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
組成式:	C20 H16 O3
SMILES:	OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:	InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol

BPC

BPC
表記:	(7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL
組成式:	C20 H16 O3
SMILES:	OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:	InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
定義日:	2001-10-04
最終更新日:	2008-10-14
識別子（ID）:	(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol

O4M

O4M
表記:	MANGANESE TETRAHYDRATE ION
組成式:	H8 Mn O4
SMILES:	O\|[Mn++](\|O)(\|O)\|O
InChi:	InChI=1/Mn.4H2O/h
定義日:	1999-07-08
最終更新日:	2008-10-14

DGM

DGM
表記:	D-GLUCOPYRANOSYLIUM
組成式:	C6 H11 O5
SMILES:	OC1C(O)C(O)[CH+]OC1CO
InChi:	InChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1
定義日:	2005-08-30
最終更新日:	2008-10-14
識別子（ID）:	(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium

DHO

DHO
表記:	DEOXYCHOLIC ACID
組成式:	C24 H40 O4
SMILES:	O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
InChi:	InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H
定義日:	2000-09-08
最終更新日:	2008-10-14
識別子（ID）:	(3beta,5beta,9beta,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid

ITS

ITS
表記:	INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
組成式:	C6 H16 O18 P4
SMILES:	O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H
定義日:	1999-07-08
最終更新日:	2008-10-14
識別子（ID）:	(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]

IU6

IU6
表記:	6-ETHYL-ISO-URSODEOXYCHOLIC ACID
組成式:	C26 H44 O4
SMILES:	O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C
InChi:	InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/f/h28H
定義日:	2003-03-25
最終更新日:	2008-10-14
識別子（ID）:	(3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid

RIC

RIC
表記:	PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER
組成式:	C14 H19 N2 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
InChi:	InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1/f/h19-20H
定義日:	1999-09-17
最終更新日:	2008-10-14
識別子（ID）:	5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

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