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ARI

ARI
Name:	(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
Formula:	C8 H14 O4
SMILES:	O=C(OC1C(OC(O)CC1)C)C
InChi:	InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1
Synonyms:	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate

ARW

ARW
Name:	methyl beta-D-arabinopyranoside
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(O)COC1OC
InChi:	InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
Synonyms:	methyl beta-D-arabinoside
Definition date:	2005-04-12
Last modified:	2020-07-17
Identifier:	methyl beta-D-arabinopyranoside

ASC

ASC
Name:	ASCORBIC ACID
Formula:	C6 H8 O6
SMILES:	O=C1OC(C(O)=C1O)C(O)CO
InChi:	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Synonyms:	Vitamin C
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

ASG

ASG
Name:	2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:	InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:	2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose

AXP

AXP
Name:	(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Formula:	C10 H20 N O9 P
SMILES:	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1
Synonyms:	4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

AXR

AXR
Name:	methyl alpha-D-arabinofuranoside
Formula:	C6 H12 O5
SMILES:	OC1C(OC(OC)C1O)CO
InChi:	InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1
Synonyms:	1-O-methyl-alpha-D-arabinofuranoside
Definition date:	2009-06-03
Last modified:	2020-07-17
Identifier:	methyl alpha-D-arabinofuranoside

AY9

AY9
Name:	Ascopyrone M
Formula:	C6 H8 O4
SMILES:	O=C1C(O)=CC(OC1)CO
InChi:	InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
Definition date:	2011-11-15
Last modified:	2020-07-17
Identifier:	(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one

AZC

AZC
Name:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
Formula:	C9 H16 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:	InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
Definition date:	2001-09-21
Last modified:	2020-07-17
Identifier:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine

B0D

B0D
Name:	(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Formula:	C6 H10 F2 O5
SMILES:	FC1OC(F)(C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2009-08-18
Last modified:	2020-07-17
Identifier:	(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

B16

B16
Name:	1,6-di-O-phosphono-beta-D-glucopyranose
Formula:	C6 H14 O12 P2
SMILES:	O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	1,6-di-O-phosphono-beta-D-glucose
Definition date:	2011-12-06
Last modified:	2020-07-17
Identifier:	1,6-di-O-phosphono-beta-D-glucopyranose

B1H

B1H
Name:	(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
Formula:	C14 H17 N4 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:	InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium

B1N

B1N
Name:	(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:	C14 H17 N3 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:	InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol

B2G

B2G
Name:	GALACTOBIOSE
Formula:	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
Synonyms:	BETA-1,4-GALACTOBIOSIDE
Definition date:	2003-10-23
Last modified:	2020-07-17
Identifier:	4-O-beta-D-galactopyranosyl-beta-D-galactopyranose

B4G

B4G
Name:	GALACTOTRIOSE
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-1,4-GALACTOTRIOSIDE
Definition date:	2003-10-23
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose

B7G

B7G
Name:	heptyl beta-D-glucopyranoside
Formula:	C13 H26 O6
SMILES:	O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	HEPTYL-BETA-D-GLUCOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	heptyl beta-D-glucopyranoside

DST

DST
Name:	DIMETHYLALLYL S-THIOLODIPHOSPHATE
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(=O)OP(O)(=O)SCC=C(C)C
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2003-12-16
Last modified:	2020-07-15
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

6C7

6C7
Name:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(OP(O)(SCC=C(C)C)=O)=O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2016-03-09
Last modified:	2020-07-15
Release date:	2016-05-11
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

JHC

JHC
Name:	[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
Formula:	C26 H29 Cl N6 O2
SMILES:	N3(c2oc1c(cc(cc1)Cl)n2)CC(C(CC)C)N(CCC3)C(=O)c4c(ccc(c4)C)n5nccn5
InChi:	InChI=1S/C26H29ClN6O2/c1-4-18(3)23-16-31(26-30-21-15-19(27)7-9-24(21)35-26)12-5-13-32(23)25(34)20-14-17(2)6-8-22(20)33-28-10-11-29-33/h6-11,14-15,18,23H,4-5,12-13,16H2,1-3H3/t18-,23+/m0/s1
Definition date:	2019-12-20
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

KXQ

KXQ
Name:	1~{H}-indole-7-carboxylic acid
Formula:	C9 H7 N O2
SMILES:	OC(=O)c1cccc2cc[nH]c12
InChi:	InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
Definition date:	2019-07-03
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1~{H}-indole-7-carboxylic acid

KZ2

KZ2
Name:	1-benzothiophene-7-carboxylic acid
Formula:	C9 H6 O2 S
SMILES:	OC(=O)c1cccc2ccsc12
InChi:	InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
Definition date:	2019-07-05
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	1-benzothiophene-7-carboxylic acid

L4B

L4B
Name:	(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid
Formula:	C27 H38 O4
SMILES:	CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH]2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45
InChi:	InChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1
Synonyms:	merosterolic acid A
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)-3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid

L4E

L4E
Name:	geranylgeranyl dihydroxybenzoate
Formula:	C27 H38 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:	InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3,4-bis(oxidanyl)-5-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid

L4H

L4H
Name:	farnesyl dihydroxybenzoate
Formula:	C22 H30 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:	InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid

D8L

D8L
Name:	(2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid
Formula:	C12 H13 N O2 S
SMILES:	CS[CH](Cc1c[nH]c2ccccc12)C(O)=O
InChi:	InChI=1S/C12H13NO2S/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R})-3-(1~{H}-indol-3-yl)-2-methylsulfanyl-propanoic acid

O0Q

O0Q
Name:	~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
Formula:	C13 H14 N4 O
SMILES:	O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35
InChi:	InChI=1S/C13H14N4O/c18-12(14-1-3-17-4-2-15-16-17)13-9-6-5-7(9)11(13)8(5)10(6)13/h2,4-11H,1,3H2,(H,14,18)/t5-,6+,7-,8+,9+,10-,11+,13+
Definition date:	2020-01-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide

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