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PDB Info pages Status search Chemie search: 908 results BIRD

MN0

MN0
Name:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	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
Synonyms:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid
Definition date:	2011-07-21
Last modified:	2020-07-17
Identifier:	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

MNA

MNA
Name:	2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
Formula:	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
Synonyms:	2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

MQG

MQG
Name:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose
Formula:	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
Synonyms:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid
Definition date:	2016-01-19
Last modified:	2020-07-17
Release date:	2016-08-10
Identifier:	~{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
Name:	methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Formula:	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
Synonyms:	methyl 6-deoxy-1-seleno-beta-L-galactopyranoside
Definition date:	2011-08-31
Last modified:	2020-07-17
Identifier:	methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside

8OQ

8OQ
Name:	alpha-D-aceric acid
Formula:	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
Definition date:	2017-02-14
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid

8PK

8PK
Name:	4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
Formula:	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
Synonyms:	2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
Definition date:	2017-02-18
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	(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
Name:	beta-D-talopyranuronic acid
Formula:	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
Synonyms:	beta-D-taluronic acid
Definition date:	2015-03-30
Last modified:	2020-07-17
Release date:	2015-12-23
Identifier:	beta-D-talopyranuronic acid

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

X1X

X1X
Name:	alpha-D-talopyranuronic acid
Formula:	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
Synonyms:	alpha-D-taluronic acid
Definition date:	2013-12-15
Last modified:	2020-07-17
Release date:	2014-01-22
Identifier:	alpha-D-talopyranuronic acid

8S0

8S0
Name:	L-glucono-1,5-lactone
Formula:	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
Synonyms:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one

X6X

X6X
Name:	2-amino-2-deoxy-alpha-D-galactopyranose
Formula:	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
Synonyms:	alpha-D-galactosamine
Definition date:	2015-06-03
Last modified:	2020-07-17
Release date:	2015-06-10
Identifier:	2-amino-2-deoxy-alpha-D-galactopyranose

SUS

SUS
Name:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	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
Synonyms:	3,6-di-O-sulfo-N-sulfo-alpha-D-glucosamine
Definition date:	2009-08-18
Last modified:	2020-07-17
Identifier:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

D1M

D1M
Name:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:	C12 H14 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1
Synonyms:	5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
Definition date:	2012-04-12
Last modified:	2020-07-17
Identifier:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

SZZ

SZZ
Name:	Sinigrin
Formula:	C10 H17 N O9 S2
SMILES:	OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Definition date:	2016-11-16
Last modified:	2020-07-17
Release date:	2017-07-05
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate

D5E

D5E
Name:	paromamine
Formula:	C12 H25 N3 O7
SMILES:	N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH]1O
InChi:	InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
Definition date:	2017-12-21
Last modified:	2020-07-17
Release date:	2018-01-17
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl ]oxy-2-(hydroxymethyl)oxane-3,4-diol

D6G

D6G
Name:	2-deoxy-6-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+,6+/m1/s1
Synonyms:	2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose

DAF

DAF
Name:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose
Formula:	C13 H17 N O8
SMILES:	O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O
InChi:	InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1
Synonyms:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose

DAG

DAG
Name:	4-amino-4,6-dideoxy-beta-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	OC1C(N)C(OC(O)C1O)C
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-amino-4,6-dideoxy-beta-D-glucopyranose

DAN

DAN
Name:	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Formula:	C11 H17 N O8
SMILES:	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
InChi:	InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:	Neu5Ac2en
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid

T68

T68
Name:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
Synonyms:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
Definition date:	2012-11-22
Last modified:	2020-07-17
Release date:	2013-12-11
Identifier:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

T6T

T6T
Name:	alpha-D-tagatopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(OCC(C1O)O)(CO)O
InChi:	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-tagatose
Definition date:	2015-07-13
Last modified:	2020-07-17
Release date:	2015-07-22
Identifier:	alpha-D-tagatopyranose

DDA

DDA
Name:	beta-D-Olivopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)CC1O)C
InChi:	InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
Synonyms:	beta-D-Olivose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,6-dideoxy-beta-D-arabino-hexopyranose

DDL

DDL
Name:	2,6-dideoxy-beta-D-galactopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)CC1O)C
InChi:	InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:	2,6-DIDEOXY-BETA-D-GALACTOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,6-dideoxy-beta-D-lyxo-hexopyranose

ANA

ANA
Name:	methyl 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C14 H23 N O10
SMILES:	O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(OC(=O)C)C1
InChi:	InChI=1S/C14H23NO10/c1-6(17)15-10-9(24-7(2)18)4-14(23-3,13(21)22)25-12(10)11(20)8(19)5-16/h8-12,16,19-20H,4-5H2,1-3H3,(H,15,17)(H,21,22)/t8-,9+,10-,11-,12-,14-/m1/s1
Synonyms:	4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

AOG

AOG
Name:	octyl 3-amino-3-deoxy-beta-D-galactopyranoside
Formula:	C14 H29 N O5
SMILES:	O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:	InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
Synonyms:	4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
Definition date:	2003-10-28
Last modified:	2020-07-17
Identifier:	octyl 3-amino-3-deoxy-beta-D-galactopyranoside

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