Chemie クエリの検索結果 - 日本蛋白質構造データバンク

English 日本語简体中文繁體中文 한국어

✖

ﾒﾆｭｰ

RCSB PDB PDBe BMRB Adv. Search Search help

PDB ウェブページステータス検索化合物検索: 36438 件 BIRD

0UB

0UB
表記:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose
組成式:	C18 H32 O16
SMILES:	O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO
InChi:	InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1
別名:	Levantriose
定義日:	2012-06-15
最終更新日:	2020-07-17
識別子（ID）:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose

IAB

IAB
表記:	ISO-ACARBOSE
組成式:	C25 H43 N O18
SMILES:	O(CC1OC(O)C(O)C(O)C1O)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(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/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
別名:	4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-ALPHA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-T HREO-HEXOPYRANOSYL-(1->6)-ALPHA-L-THREO-HEXOPYRANOSE
定義日:	2004-09-15
最終更新日:	2020-07-17
識別子（ID）:	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->6)-beta-D-glucopyranose

2WP

2WP
表記:	S-ribosylhomocysteine
組成式:	C9 H17 N O6 S
SMILES:	O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:	InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
別名:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
定義日:	2014-03-13
最終更新日:	2020-07-17
公開日:	2014-03-26
識別子（ID）:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

2WS

2WS
表記:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
組成式:	C15 H26 O13
SMILES:	O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
InChi:	InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
定義日:	2014-03-19
最終更新日:	2020-07-17
公開日:	2014-05-07
識別子（ID）:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose

IDC

IDC
表記:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside
組成式:	C14 H22 N2 O9
SMILES:	O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1
別名:	5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE
定義日:	1999-08-03
最終更新日:	2020-07-17
識別子（ID）:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside

IDF

IDF
表記:	5-fluoro-alpha-L-idopyranosyluronic acid fluoride
組成式:	C6 H8 F2 O6
SMILES:	FC1OC(F)(C(=O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
別名:	5-fluoro-alpha-L-idosyluronic acid fluoride
定義日:	2013-05-07
最終更新日:	2020-07-17
公開日:	2013-09-18
識別子（ID）:	(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

IDS

IDS
表記:	2-O-sulfo-alpha-L-idopyranuronic acid
組成式:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1
別名:	O2-SULFO-GLUCURONIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-O-sulfo-alpha-L-idopyranuronic acid

IDU

IDU
表記:	2-O-sulfo-beta-L-altropyranuronic acid
組成式:	C6 H10 O10 S
SMILES:	O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1
別名:	2-O-sulfo-beta-L-altruronic acid
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-O-sulfo-beta-L-altropyranuronic acid

IDX

IDX
表記:	2-O-sulfo-alpha-L-gulopyranuronic acid
組成式:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4-,6+/m0/s1
別名:	2-O-sulfo-alpha-L-guluronic acid
定義日:	2008-06-13
最終更新日:	2020-07-17
識別子（ID）:	2-O-sulfo-alpha-L-gulopyranuronic acid

IDY

IDY
表記:	1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
組成式:	C7 H12 O10 S
SMILES:	O=C(O)C1OC(OC)C(OS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
別名:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid
定義日:	2011-11-03
最終更新日:	2020-07-17
公開日:	2012-11-23
識別子（ID）:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid

IEM

IEM
表記:	2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
組成式:	C12 H19 N O6
SMILES:	C(C1=CC(C(C(OCC(C)C)O1)NC(C)=O)O)(=O)O
InChi:	InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10+,12+/m0/s1
別名:	5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
定義日:	2005-11-28
最終更新日:	2020-07-17
識別子（ID）:	2-methylpropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid

M6P

M6P
表記:	6-O-phosphono-alpha-D-mannopyranose
組成式:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
別名:	ALPHA-D-MANNOSE-6-PHOSPHATE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-alpha-D-mannopyranose

M7B

M7B
表記:	7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
組成式:	C7 H15 O10 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1
別名:	7-O-phosphono-D-glycero-beta-D-manno-heptose
定義日:	2012-04-04
最終更新日:	2020-07-17
公開日:	2012-12-21
識別子（ID）:	7-O-phosphono-D-glycero-beta-D-manno-heptopyranose

M7P

M7P
表記:	7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
組成式:	C7 H15 O10 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1
別名:	D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE
定義日:	2004-08-20
最終更新日:	2020-07-17
識別子（ID）:	7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose

M8C

M8C
表記:	methyl alpha-D-galactopyranuronate
組成式:	C7 H12 O7
SMILES:	O=C(OC)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6-/m0/s1
別名:	ALPHA-D-GALACTOPYRANURONIC METHYL ESTER
定義日:	2006-11-15
最終更新日:	2020-07-17
識別子（ID）:	methyl alpha-D-galactopyranuronate

MA8

MA8
表記:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
組成式:	C15 H28 N2 O11 S
SMILES:	O=C(NC2C(O)C(O)C(OC2OC1C(O)C(O)C(O)C(O)C1O)CO)C(N)CS
InChi:	InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1
別名:	(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-(L-CYSTEINYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSIDE
定義日:	2005-09-26
最終更新日:	2020-07-17
識別子（ID）:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside

MAB

MAB
表記:	MANNOBIOSE
組成式:	C12 H22 O11
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1
定義日:	1999-10-27
最終更新日:	2020-07-17
識別子（ID）:	4-O-beta-D-mannopyranosyl-beta-D-mannopyranose

MAG

MAG
表記:	methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
組成式:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OC)CO)C
InChi:	InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1
別名:	BETA-METHYL-N-ACETYL-D-GLUCOSAMINE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

MAL

MAL
表記:	MALTOSE
組成式:	C12 H22 O11
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,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）:	4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose

MBE

MBE
表記:	4-nitrophenyl beta-D-mannopyranoside
組成式:	C12 H15 N O8
SMILES:	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/s1
別名:	4-Nitrophenyl-beta-D-mannopyranoside
定義日:	2016-07-07
最終更新日:	2020-07-17
公開日:	2016-08-10
識別子（ID）:	(2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

MCU

MCU
表記:	methyl 4-O-methyl-beta-D-glucopyranuronate
組成式:	C8 H14 O7
SMILES:	O=C(OC)C1OC(O)C(O)C(O)C1OC
InChi:	InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1
別名:	methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate
定義日:	2012-07-18
最終更新日:	2020-07-17
公開日:	2012-12-28
識別子（ID）:	methyl 4-O-methyl-beta-D-glucopyranuronate

MDP

MDP
表記:	N-carboxyl-N-methyl-beta-muramic acid
組成式:	C11 H19 N O9
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C
InChi:	InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1
別名:	N-CARBOXY-N-METHYL-MURAMIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose

1S3

1S3
表記:	(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
組成式:	C6 H11 O8 P
SMILES:	O=P1(OC2C(O)C(O)C(OC2O1)CO)O
InChi:	InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1
別名:	Glucose1,2cyclic phosphate
定義日:	2013-05-15
最終更新日:	2020-07-17
公開日:	2013-12-11
識別子（ID）:	(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide

MG5

MG5
表記:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose
組成式:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1
別名:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose
定義日:	2011-08-30
最終更新日:	2020-07-17
識別子（ID）:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose

1S4

1S4
表記:	alpha-muramic acid
組成式:	C9 H17 N O7
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
別名:	muramic acid
定義日:	2013-05-15
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

<513 514 515 516 517 518 519520521 522 523 524 525 526 527 528 >

222624

件を2024-07-17に公開中

PDB statistics

PDBj update info

Contact PDBj

numon