Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 43846 results BIRD

YDR

YDR
Name:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
Formula:	C12 H22 O10 S
SMILES:	S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
Definition date:	2011-02-24
Last modified:	2020-07-17
Identifier:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose

QPS

QPS
Name:	BETA-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
Synonyms:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Definition date:	2008-06-03
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

DOM

DOM
Name:	2'-DEOXYMALTOSE
Formula:	C12 H22 O10
SMILES:	O(C1C(OC(O)CC1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-deoxy-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranose

SQ7

SQ7
Name:	3-(4-chlorophenyl)imidazole-2,4-dione
Formula:	C9 H5 Cl N2 O2
SMILES:	Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:	InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-(4-chlorophenyl)imidazole-2,4-dione

RWI

RWI
Name:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
Formula:	C11 H18 N2 O11
SMILES:	O=C(NC1C(O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO
InChi:	InChI=1S/C11H18N2O11/c14-2-4-7(17)8(18)6(12-11(21)13-22)10(24-4)23-3(9(19)20)1-5(15)16/h3-4,6-8,10,14,17-18,22H,1-2H2,(H,15,16)(H,19,20)(H2,12,13,21)/t3-,4+,6+,7+,8+,10-/m0/s1
Synonyms:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid
Definition date:	2019-10-09
Last modified:	2020-07-17
Release date:	2020-01-08
Identifier:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid

RI2

RI2
Name:	1,5-di-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H12 O11 P2
SMILES:	O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:	1,5-di-O-phosphono-alpha-D-ribose
Definition date:	2011-01-07
Last modified:	2020-07-17
Identifier:	1,5-di-O-phosphono-alpha-D-ribofuranose

SQG

SQG
Name:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C10 H7 F3 N2 O2
SMILES:	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:	InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide

SQP

SQP
Name:	2-(4-aminophenyl)benzoic acid
Formula:	C13 H11 N O2
SMILES:	Nc1ccc(cc1)c2ccccc2C(O)=O
InChi:	InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-(4-aminophenyl)benzoic acid

ZCD

ZCD
Name:	alpha-D-idopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1
Synonyms:	alpha-D-idose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-idopyranose

DP5

DP5
Name:	1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOP YRANOSE
Formula:	C18 H32 O12 S4
SMILES:	S(C1C(OC(S)C(O)C1O)CO)C3OC(C(SC2OC(CO)C(S)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O12S4/c19-1-4-13(31)7(22)11(26)17(29-4)34-15-6(3-21)30-18(12(27)9(15)24)33-14-5(2-20)28-16(32)10(25)8(14)23/h4-27,31-32H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-thio-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1,4-dithio-beta-D-glucopyranose

XMM

XMM
Name:	5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside
Formula:	C14 H15 Br Cl N O6
SMILES:	Brc3ccc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)c3Cl
InChi:	InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1
Synonyms:	(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL
Definition date:	2005-04-26
Last modified:	2020-07-17
Identifier:	5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside

SQV

SQV
Name:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
Formula:	C10 H13 N O3
SMILES:	COC(=O)[CH](C)c1cc(OC)ccn1
InChi:	InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate

ZCZ

ZCZ
Name:	4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
Formula:	C11 H21 N O7
SMILES:	O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO
InChi:	InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose

ZD0

ZD0
Name:	methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
Formula:	C11 H21 N O7
SMILES:	O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO
InChi:	InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside

DPC

DPC
Name:	5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Formula:	C20 H27 N3 O5
SMILES:	O=C(O)C=2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C=2
InChi:	InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)

TYV

TYV
Name:	alpha-D-Tyvelopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)C(O)C1)C
InChi:	InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-Tyvelose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3,6-dideoxy-alpha-D-arabino-hexopyranose

SR1

SR1
Name:	5-S-methyl-5-thio-alpha-D-ribofuranose
Formula:	C6 H12 O4 S
SMILES:	OC1C(OC(O)C1O)CSC
InChi:	InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:	5-S-methyl-5-thio-alpha-D-ribose
Definition date:	2005-03-31
Last modified:	2020-07-17
Identifier:	5-S-methyl-5-thio-alpha-D-ribofuranose

SR4

SR4
Name:	2,3-dihydro-1-benzoxepine-5-carboxylic acid
Formula:	C11 H10 O3
SMILES:	OC(=O)C1=CCCOc2ccccc12
InChi:	InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2,3-dihydro-1-benzoxepine-5-carboxylic acid

SCG

SCG
Name:	Secologanin
Formula:	C17 H24 O10
SMILES:	O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)C(O)C1O)CO)C2C=C
InChi:	InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
Synonyms:	METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
Definition date:	2006-01-19
Last modified:	2020-07-17
Identifier:	methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

ZDO

ZDO
Name:	methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:	C7 H15 N O11 S2
SMILES:	O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
Definition date:	2012-12-19
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

QCQ

QCQ
Name:	[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C18 H21 Cl F N5 O8 P2
SMILES:	O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc23
InChi:	InChI=1S/C18H21ClFN5O8P2/c19-18-23-15(21-6-10-4-2-1-3-5-10)13-16(24-18)25(8-22-13)17-12(20)14(26)11(33-17)7-32-35(30,31)9-34(27,28)29/h1-5,8,11-12,14,17,26H,6-7,9H2,(H,30,31)(H,21,23,24)(H2,27,28,29)/t11-,12+,14-,17-/m1/s1
Definition date:	2020-06-05
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

SRJ

SRJ
Name:	(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
Formula:	C18 H25 N O2
SMILES:	O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
InChi:	InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol

SCR

SCR
Name:	SUCROSE OCTASULFATE
Formula:	C12 H22 O35 S8
SMILES:	O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O
InChi:	InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside

WUN

WUN
Name:	2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H18 Cl N O5
SMILES:	Clc1ccc(cc1)COC2C(OC(O)C(N)C2O)CO
InChi:	InChI=1S/C13H18ClNO5/c14-8-3-1-7(2-4-8)6-19-12-9(5-16)20-13(18)10(15)11(12)17/h1-4,9-13,16-18H,5-6,15H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:	(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4-diol
Definition date:	2012-07-30
Last modified:	2020-07-17
Release date:	2013-08-07
Identifier:	2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose

T68

T68
Name:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
Synonyms:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
Definition date:	2012-11-22
Last modified:	2020-07-17
Release date:	2013-12-11
Identifier:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

<745 746 747 748 749 750 751752753 754 755 756 757 758 759 760 >

237992

数据于2025-06-25公开中

PDB statistics

PDBj update info

Contact PDBj

numon