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: 43884 件 BIRD

MLR

MLR
表記:	MALTOTRIOSE
組成式:	C18 H32 O16
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
別名:	AMYLOTRIOSE
定義日:	2003-03-03
最終更新日:	2020-07-17
識別子（ID）:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose

MMA

MMA
表記:	methyl alpha-D-mannopyranoside
組成式:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
別名:	O1-METHYL-MANNOSE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	methyl alpha-D-mannopyranoside

MN0

MN0
表記:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:	C12 H21 N O10
SMILES:	O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1
別名:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid
定義日:	2011-07-21
最終更新日:	2020-07-17
識別子（ID）:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

MNA

MNA
表記:	2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
組成式:	C12 H21 N O9
SMILES:	O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:	InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
別名:	2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

MQG

MQG
表記:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose
組成式:	C7 H16 N O7 P
SMILES:	C[P](O)(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C7H16NO7P/c1-16(13,14)8-4-6(11)5(10)3(2-9)15-7(4)12/h3-7,9-12H,2H2,1H3,(H2,8,13,14)/t3-,4-,5-,6-,7-/m1/s1
別名:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid
定義日:	2016-01-19
最終更新日:	2020-07-17
公開日:	2016-08-10
識別子（ID）:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid

MQT

MQT
表記:	methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
組成式:	C17 H22 O8
SMILES:	O=C(OC1C(O)C(OC(OC)C1OC(=O)C)CO)c2ccc(cc2)C
InChi:	InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
別名:	methyl 6-deoxy-1-seleno-beta-L-galactopyranoside
定義日:	2011-08-31
最終更新日:	2020-07-17
識別子（ID）:	methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside

8OQ

8OQ
表記:	alpha-D-aceric acid
組成式:	C6 H10 O6
SMILES:	C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O
InChi:	InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1
定義日:	2017-02-14
最終更新日:	2020-07-17
公開日:	2017-03-22
識別子（ID）:	(2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid

WZ1

WZ1
表記:	methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside
組成式:	C13 H24 O10 S
SMILES:	S(C1C(O)C(OC)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H24O10S/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
別名:	Methyl(alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside
定義日:	2008-01-09
最終更新日:	2020-07-17
識別子（ID）:	methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside

WZ2

WZ2
表記:	methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside
組成式:	C19 H34 O15 S
SMILES:	S(C2C(O)C(OC)OC(COC1OC(CO)C(O)C(O)C1O)C2O)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C19H34O15S/c1-30-17-15(29)16(35-19-14(28)12(26)9(23)6(3-21)34-19)10(24)7(33-17)4-31-18-13(27)11(25)8(22)5(2-20)32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1
別名:	Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside
定義日:	2008-01-09
最終更新日:	2020-07-17
識別子（ID）:	methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside

WZ4

WZ4
表記:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio -alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside
組成式:	C33 H57 N O25 S
SMILES:	O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC3OC(CSC2OC(C(O)C(O)C2O)CO)C(O)C(O)C3O)CO)CO)C
InChi:	InChI=1S/C33H57NO25S/c1-8(38)34-14-20(44)15(39)9(3-35)53-29(14)59-28-23(47)17(41)10(4-36)54-32(28)58-27-19(43)12(55-30(51-2)26(27)50)6-52-31-24(48)21(45)18(42)13(56-31)7-60-33-25(49)22(46)16(40)11(5-37)57-33/h9-33,35-37,39-50H,3-7H2,1-2H3,(H,34,38)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-/m1/s1
別名:	Methyl(2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[ALPHA-D-MANNOPYRANOSYL-(1->6)-6 -THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE
定義日:	2008-01-11
最終更新日:	2020-07-17
識別子（ID）:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside

8PK

8PK
表記:	4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
組成式:	C9 H18 O6
SMILES:	CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O
InChi:	InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1
別名:	2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
定義日:	2017-02-18
最終更新日:	2020-07-17
公開日:	2017-03-22
識別子（ID）:	(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol

X0X

X0X
表記:	beta-D-talopyranuronic acid
組成式:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6+/m0/s1
別名:	beta-D-taluronic acid
定義日:	2015-03-30
最終更新日:	2020-07-17
公開日:	2015-12-23
識別子（ID）:	beta-D-talopyranuronic acid

X1P

X1P
表記:	1-O-phosphono-alpha-D-xylopyranose
組成式:	C5 H11 O8 P
SMILES:	O=P(OC1OCC(O)C(O)C1O)(O)O
InChi:	InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1
別名:	1-O-phosphono-alpha-D-xylose
定義日:	2006-06-05
最終更新日:	2020-07-17
識別子（ID）:	1-O-phosphono-alpha-D-xylopyranose

X1X

X1X
表記:	alpha-D-talopyranuronic acid
組成式:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1
別名:	alpha-D-taluronic acid
定義日:	2013-12-15
最終更新日:	2020-07-17
公開日:	2014-01-22
識別子（ID）:	alpha-D-talopyranuronic acid

8S0

8S0
表記:	L-glucono-1,5-lactone
組成式:	C6 H10 O6
SMILES:	OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1
別名:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
定義日:	2017-09-07
最終更新日:	2020-07-17
公開日:	2018-05-23
識別子（ID）:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one

X4S

X4S
表記:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr anose
組成式:	C20 H34 O14 S3
SMILES:	S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C4OCC(SC3OCC(O)C(O)C3O)C(O)C4O
InChi:	InChI=1S/C20H34O14S3/c21-5-1-32-18(14(27)9(5)22)36-7-3-34-20(16(29)11(7)24)37-8-4-33-19(15(28)12(8)25)35-6-2-31-17(30)13(26)10(6)23/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20+/m1/s1
別名:	thio-linked xylotetraose
定義日:	2008-06-18
最終更新日:	2020-07-17
識別子（ID）:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose

X5S

X5S
表記:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr anosyl-(1->4)-4-thio-beta-D-xylopyranose
組成式:	C25 H42 O17 S4
SMILES:	S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O
InChi:	InChI=1S/C25H42O17S4/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+/m1/s1
別名:	thio-linked xylopentaose
定義日:	2008-06-18
最終更新日:	2020-07-17
識別子（ID）:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose

X6X

X6X
表記:	2-amino-2-deoxy-alpha-D-galactopyranose
組成式:	C6 H13 N O5
SMILES:	OC1C(OC(C(C1O)N)O)CO
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1
別名:	alpha-D-galactosamine
定義日:	2015-06-03
最終更新日:	2020-07-17
公開日:	2015-06-10
識別子（ID）:	2-amino-2-deoxy-alpha-D-galactopyranose

SU7

SU7
表記:	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
組成式:	C15 H18 N2 O
SMILES:	O=C(CC#N)N1CCC(CC1)Cc2ccccc2
InChi:	InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile

SUC

SUC
表記:	SUCROSE
組成式:	C12 H22 O11
SMILES:	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	beta-D-fructofuranosyl alpha-D-glucopyranoside

SUP

SUP
表記:	SUCROSE-6-PHOSHPATE
組成式:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO
InChi:	InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
定義日:	2004-08-12
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside

SUS

SUS
表記:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
組成式:	C6 H13 N O14 S3
SMILES:	N(C1C(OC(C(C1OS(O)(=O)=O)O)COS(=O)(O)=O)O)S(=O)(O)=O
InChi:	InChI=1S/C6H13NO14S3/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t2-,3-,4-,5-,6+/m1/s1
別名:	3,6-di-O-sulfo-N-sulfo-alpha-D-glucosamine
定義日:	2009-08-18
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

SV4

SV4
表記:	1-(3-methylpyridin-2-yl)-1,4-diazepane
組成式:	C11 H17 N3
SMILES:	Cc1cccnc1N2CCCNCC2
InChi:	InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	1-(3-methylpyridin-2-yl)-1,4-diazepane

D0N

D0N
表記:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
組成式:	C12 H21 F O10
SMILES:	OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1
定義日:	2017-12-15
最終更新日:	2020-07-17
公開日:	2019-01-30
識別子（ID）:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SVD

SVD
表記:	(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one
組成式:	C8 H16 N2 O2
SMILES:	CN1N(O)[CH](CC1=O)C(C)(C)C
InChi:	InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one

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