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PDB Info pages Status search Chemie search: 36438 results BIRD

G20

G20
Name:	5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Formula:	C14 H23 N5 O5
SMILES:	O=C(O)C=1OC(C(=O)N(CCC)C)C(NC(=O)C)C(NC(=[N@H])N)C=1
InChi:	InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
Synonyms:	4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R,3R,4S)-3-(acetylamino)-4-carbamimidamido-2-[methyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)

G28

G28
Name:	5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Formula:	C13 H21 N3 O5
SMILES:	C(O)(=O)C1=CC(C(NC(=O)C)C(O1)C(=O)N(CC)CC)N
InChi:	InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
Synonyms:	5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R,3R,4S)-3-(acetylamino)-4-amino-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)

G4S

G4S
Name:	4-O-sulfo-beta-D-galactopyranose
Formula:	C6 H12 O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
InChi:	InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1
Synonyms:	4-O-sulfo-beta-D-galactose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-O-sulfo-beta-D-galactopyranose

G6P

G6P
Name:	6-O-phosphono-alpha-D-glucopyranose
Formula:	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
Synonyms:	ALPHA-D-GLUCOSE-6-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	6-O-phosphono-alpha-D-glucopyranose

G6S

G6S
Name:	6-O-sulfo-beta-D-galactopyranose
Formula:	C6 H12 O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Synonyms:	D-GALACTOSE-6-SULFATE
Definition date:	2001-01-25
Last modified:	2020-07-17
Identifier:	6-O-sulfo-beta-D-galactopyranose

G7P

G7P
Name:	6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose
Formula:	C7 H15 O8 P
SMILES:	O=P(O)(O)CCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H15O8P/c8-4-3(1-2-16(12,13)14)15-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1
Synonyms:	6,7-dideoxy-7-phosphono-beta-D-gluco-heptose
Definition date:	2009-04-03
Last modified:	2020-07-17
Identifier:	6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose

W9T

W9T
Name:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
Formula:	C12 H22 O11
SMILES:	OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
Definition date:	2013-04-23
Last modified:	2020-07-17
Release date:	2014-03-19
Identifier:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose

G8Z

G8Z
Name:	prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
Formula:	C10 H18 O6
SMILES:	CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO
InChi:	InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1
Synonyms:	Allyl-Alpha-4-Methyl-Mannoside
Definition date:	2016-01-04
Last modified:	2020-07-17
Release date:	2017-03-29
Identifier:	(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxy-oxane-3,4-diol

GAA

GAA
Name:	3-nitrophenyl alpha-D-galactopyranoside
Formula:	C12 H15 N O8
SMILES:	[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)ccc2
InChi:	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
Synonyms:	METANITROPHENYL-ALPHA-D-GALACTOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3-nitrophenyl alpha-D-galactopyranoside

GAC

GAC
Name:	DIHYDRO-ACARBOSE
Formula:	C25 H45 N O18
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2CC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H45NO18/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/h6-39H,2-5H2,1H3/t6-,7-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose

GAT

GAT
Name:	4-aminophenyl alpha-D-galactopyranoside
Formula:	C12 H17 N O6
SMILES:	O(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1
Synonyms:	4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Definition date:	2000-02-09
Last modified:	2020-07-17
Identifier:	4-aminophenyl alpha-D-galactopyranoside

GBH

GBH
Name:	2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
Formula:	C14 H28 N2 O9 S
SMILES:	O=S(=O)(O)CCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2
InChi:	InChI=1S/C14H28N2O9S/c17-9-10-11(18)12(19)13(20)14(25-10)24-7-5-15-1-3-16(4-2-15)6-8-26(21,22)23/h10-14,17-20H,1-9H2,(H,21,22,23)/t10-,11-,12+,13-,14-/m1/s1
Synonyms:	2-{4-[2-(beta-D-glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
Definition date:	2011-10-20
Last modified:	2020-07-17
Identifier:	2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid

GC9

GC9
Name:	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid
Formula:	C11 H17 N O9
SMILES:	C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O
InChi:	InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1
Definition date:	2018-11-05
Last modified:	2020-07-17
Release date:	2019-10-02
Identifier:	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid

GCV

GCV
Name:	4-O-methyl-alpha-D-glucopyranuronic acid
Formula:	C7 H12 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1OC
InChi:	InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1
Synonyms:	4-O-METHYL-ALPHA-D-GLUCURONIC ACID
Definition date:	2001-11-06
Last modified:	2020-07-17
Identifier:	4-O-methyl-alpha-D-glucopyranuronic acid

GCW

GCW
Name:	4-O-methyl-beta-D-glucopyranuronic acid
Formula:	C7 H12 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1OC
InChi:	InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1
Synonyms:	4-O-METHYL-BETA-D-GLUCURONIC ACID
Definition date:	2002-03-22
Last modified:	2020-07-17
Identifier:	4-O-methyl-beta-D-glucopyranuronic acid

GDL

GDL
Name:	2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone
Formula:	C8 H13 N O6
SMILES:	O=C1OC(CO)C(O)C(O)C1NC(=O)C
InChi:	InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
Synonyms:	2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE
Definition date:	2002-10-29
Last modified:	2020-07-17
Identifier:	N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

IXD

IXD
Name:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid
Formula:	C6 H8 O9 S
SMILES:	O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
InChi:	InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1
Synonyms:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid
Definition date:	2009-08-19
Last modified:	2020-07-17
Identifier:	(2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

J5B

J5B
Name:	(3R)-3-hydroxybutyl alpha-D-glucopyranoside
Formula:	C10 H20 O7
SMILES:	C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol
Definition date:	2019-01-26
Last modified:	2020-07-17
Release date:	2019-02-06
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol

JAG

JAG
Name:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one
Formula:	C23 H20 F3 N O3
SMILES:	CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1
Definition date:	2019-01-30
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one

WZ1

WZ1
Name:	methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside
Formula:	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
Synonyms:	Methyl(alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside
Definition date:	2008-01-09
Last modified:	2020-07-17
Identifier:	methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside

WZ2

WZ2
Name:	methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside
Formula:	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
Synonyms:	Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside
Definition date:	2008-01-09
Last modified:	2020-07-17
Identifier:	methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside

WZ4

WZ4
Name:	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
Formula:	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
Synonyms:	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
Definition date:	2008-01-11
Last modified:	2020-07-17
Identifier:	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

X1P

X1P
Name:	1-O-phosphono-alpha-D-xylopyranose
Formula:	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
Synonyms:	1-O-phosphono-alpha-D-xylose
Definition date:	2006-06-05
Last modified:	2020-07-17
Identifier:	1-O-phosphono-alpha-D-xylopyranose

L3W

L3W
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H29 N7 O16 P2
SMILES:	NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C21H29N7O16P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(34)14(32)11(43-21)5-41-46(38,39)44-45(36,37)40-4-10-13(31)15(33)20(42-10)27(8-29)3-1-2-9(30)18(23)35/h1-3,6-8,10-11,13-16,20-21,30-34H,4-5H2,(H2,23,35)(H,36,37)(H,38,39)(H2,22,24,25)/b3-1+,9-2-/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	2019-07-18
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

5N6

5N6
Name:	9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C13 H21 N O10
SMILES:	CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)COC(C)=O)C(O)=O
InChi:	InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1
Synonyms:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid
Definition date:	2015-10-27
Last modified:	2020-07-17
Release date:	2016-03-23
Identifier:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid

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