Chemie Search results for query - Protein Data Bank Japan

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: 44339 results BIRD

JZR

JZR
Name:	hexyl beta-D-glucopyranoside
Formula:	C12 H24 O6
SMILES:	CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	hexyl beta-D-glucoside
Definition date:	2009-11-11
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol

K4W

K4W
Name:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
Formula:	C18 H26 N6 O3
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:	InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
Definition date:	2019-04-24
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol

K5B

K5B
Name:	4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
Synonyms:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-06-20
Identifier:	3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid

K8Q

K8Q
Name:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
Formula:	C19 H18 Br I N4 O2
SMILES:	Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:	InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)
Definition date:	2019-05-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide

K99

K99
Name:	(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C9 H14 F2 O8
SMILES:	OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1
Synonyms:	(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

38J

38J
Name:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	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
Synonyms:	beta-MALTOTRIOSE
Definition date:	2014-07-07
Last modified:	2020-07-17
Release date:	2014-07-16
Identifier:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

KBA

KBA
Name:	2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C10 H17 N3 O5
SMILES:	C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1
Synonyms:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol
Definition date:	2018-06-28
Last modified:	2020-07-17
Release date:	2018-08-22
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol

KBG

KBG
Name:	beta-D-arabino-hexopyranos-2-ulose
Formula:	C6 H10 O6
SMILES:	O=C1C(O)OC(CO)C(O)C1O
InChi:	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1
Synonyms:	2-KETO-BETA-D-GLUCOSE
Definition date:	2006-01-09
Last modified:	2020-07-17
Identifier:	beta-D-arabino-hexopyranos-2-ulose

KD5

KD5
Name:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
Formula:	C8 H12 O7
SMILES:	O=C(O)C(=O)CC1OC(CO)C(O)C1O
InChi:	InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1
Definition date:	2012-03-22
Last modified:	2020-07-17
Release date:	2013-03-27
Identifier:	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid

KDA

KDA
Name:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7-,8-,9-,11-/m1/s1
Synonyms:	(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2003-09-15
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid

KDB

KDB
Name:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid
Formula:	C8 H12 O6
SMILES:	OC1(C(=O)O)C=CCC(C(CO)O)O1
InChi:	InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1
Synonyms:	3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid
Definition date:	2008-01-04
Last modified:	2020-07-17
Identifier:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid

KDD

KDD
Name:	2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid
Formula:	C8 H12 O6
SMILES:	OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O
InChi:	InChI=1S/C8H12O6/c9-3-5(11)6-1-4(10)2-7(14-6)8(12)13/h2,4-6,9-11H,1,3H2,(H,12,13)/t4-,5-,6+/m1/s1
Synonyms:	5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid
Definition date:	2008-01-11
Last modified:	2020-07-17
Identifier:	(2~{S})-2-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

KDE

KDE
Name:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1
Synonyms:	ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2008-01-18
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid

KDF

KDF
Name:	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid
Formula:	C6 H10 O6
SMILES:	O=C(O)C1(O)OC(CO)C(O)C1
InChi:	InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1
Synonyms:	2-keto-3-deoxygluconate
Definition date:	2007-09-04
Last modified:	2020-07-17
Identifier:	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid

KDM

KDM
Name:	deamino-alpha-neuraminic acid
Formula:	C9 H16 O9
SMILES:	OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1
Synonyms:	alpha-deaminoneuraminic acid
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(2R,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

KDN

KDN
Name:	deamino-beta-neuraminic acid
Formula:	C9 H16 O9
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
Synonyms:	beta-deaminoneuraminic acid
Definition date:	2008-09-18
Last modified:	2020-07-17
Identifier:	3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid

KDO

KDO
Name:	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
Formula:	C8 H14 O8
SMILES:	O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1
Synonyms:	3-deoxy-d-manno-oct-2-ulopyranosonic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid

O1G

O1G
Name:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose
Formula:	C14 H22 N2 O13 P2
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)(O)O)C
InChi:	InChI=1S/C14H22N2O13P2/c1-6-11(17)8(7(2-15-6)4-27-30(21,22)23)3-16-10-12(18)9(5-28-31(24,25)26)29-14(20)13(10)19/h2-3,9-10,12-14,17-20H,4-5H2,1H3,(H2,21,22,23)(H2,24,25,26)/b16-3+/t9-,10+,12-,13-,14+/m1/s1
Synonyms:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco se
Definition date:	2013-04-10
Last modified:	2020-07-17
Release date:	2013-10-16
Identifier:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose

3DO

3DO
Name:	3-deoxy-beta-D-glucopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(OC(O)C(O)C1)CO
InChi:	InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	3-deoxy-beta-D-ribo-hexopyranose
Definition date:	2013-11-26
Last modified:	2020-07-17
Release date:	2015-03-25
Identifier:	3-deoxy-beta-D-ribo-hexopyranose

3FM

3FM
Name:	3-O-carbamoyl-alpha-D-mannopyranose
Formula:	C7 H13 N O7
SMILES:	O=C(OC1C(O)C(OC(O)C1O)CO)N
InChi:	InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE
Definition date:	1999-07-16
Last modified:	2020-07-17
Identifier:	3-O-carbamoyl-alpha-D-mannopyranose

3J3

3J3
Name:	(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol
Formula:	C11 H22 N2 O10 S2
SMILES:	O=S(=O)(N1CCC(OS(=O)(=O)N)CC1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8+,9+,10-,11-/m1/s1
Definition date:	2014-08-22
Last modified:	2020-07-17
Release date:	2014-10-15
Identifier:	(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol

3J4

3J4
Name:	(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol
Formula:	C10 H20 N2 O10 S2
SMILES:	O=S(=O)(N1CCC(OS(=O)(=O)N)C1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6?,7-,8+,9+,10+/m1/s1
Definition date:	2014-08-25
Last modified:	2020-07-17
Release date:	2014-10-15
Identifier:	(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol

OAK

OAK
Name:	N-(phenylcarbonyl)-beta-D-glucopyranosylamine
Formula:	C13 H17 N O6
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2
InChi:	InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:	N-(phenylcarbonyl)-beta-D-glucosylamine
Definition date:	2009-02-05
Last modified:	2020-07-17
Identifier:	N-(phenylcarbonyl)-beta-D-glucopyranosylamine

OBQ

OBQ
Name:	(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
Formula:	C21 H22 N2 O6
SMILES:	COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
InChi:	InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one

ABF

ABF
Name:	5-O-phosphono-beta-D-arabinofuranose
Formula:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:	InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m1/s1
Synonyms:	BETA-D-ARABINOFURANOSE-5'-PHOSPHATE
Definition date:	2002-11-26
Last modified:	2020-07-17
Identifier:	5-O-phosphono-beta-D-arabinofuranose

<791 792 793 794 795 796 797798799 800 801 802 803 804 805 806 >

245663

PDB entries from 2025-12-03

PDB statistics

PDBj update info

Contact PDBj

numon