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GMH
GMH
Name:L-glycero-alpha-D-manno-heptopyranose
Formula:C7 H14 O7
SMILES:OC1C(O)C(OC(O)C1O)C(O)CO
InChi:InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1
Synonyms:L-glycero-alpha-D-manno-heptose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:L-glycero-alpha-D-manno-heptopyranose
TQY
TQY
Name:6-O-octanoyl-alpha-D-glucopyranose
Formula:C14 H26 O7
SMILES:C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Definition date:2020-03-30
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-octanoyl-alpha-D-glucopyranose
TS8
TS8
Name:2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
Formula:C14 H20 O9 S
SMILES:O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
Synonyms:3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL
Definition date:2011-02-24
Last modified:2020-07-17
Identifier:2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
TTZ
TTZ
Name:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Formula:C13 H22 N2 O9 S
SMILES:OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
Synonyms:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
Definition date:2007-02-07
Last modified:2020-07-17
Identifier:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
TUJ
TUJ
Name:1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
Formula:C6 H12 O18 S4
SMILES:OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O
InChi:InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
GTR
GTR
Name:beta-D-galactopyranuronic acid
Formula:C6 H10 O7
SMILES:C1(C(C(C(C(C(=O)O)O1)O)O)O)O
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-galacturonic acid
Definition date:2001-11-15
Last modified:2020-07-17
Identifier:beta-D-galactopyranuronic acid
GU4
GU4
Name:2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose
Formula:C6 H12 O18 S4
SMILES:OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O
InChi:InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:2,3,4,6-tetra-O-sulfonato-alpha-D-glucose
Definition date:2004-06-22
Last modified:2020-07-17
Identifier:2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose
U2D
U2D
Name:6-O-decanoyl-alpha-D-glucopyranose
Formula:C16 H30 O7
SMILES:C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
InChi:InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1
Definition date:2020-04-09
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-decanoyl-alpha-D-glucopyranose
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
U8V
U8V
Name:6-O-butanoyl-alpha-D-glucopyranose
Formula:C10 H18 O7
SMILES:OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChi:InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
Definition date:2020-05-04
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-butanoyl-alpha-D-glucopyranose
U9A
U9A
Name:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
Formula:C5 H11 N O11 S2
SMILES:C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O
InChi:InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1
Definition date:2020-05-04
Last modified:2020-07-17
Release date:2020-07-29
Identifier:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)
U9J
U9J
Name:(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:C8 H16 O7
SMILES:OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1
Definition date:2020-05-05
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)
U9M
U9M
Name:(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:C8 H16 O7
SMILES:OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1
Definition date:2020-05-05
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)
UCD
UCD
Name:(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Formula:C14 H21 N O11
SMILES:O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2
InChi:InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
Synonyms:4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE
Definition date:2005-08-04
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose
9SG
9SG
Name:(2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:C11 H17 F2 N O7
SMILES:O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O
InChi:InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:(2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Definition date:2017-06-07
Last modified:2020-07-17
Release date:2018-02-21
Identifier:(2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
9SM
9SM
Name:(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:C11 H17 F2 N O7
SMILES:OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1
Synonyms:(2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid
Definition date:2017-06-07
Last modified:2020-07-17
Release date:2018-02-21
Identifier:(2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
9SP
9SP
Name:(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:C11 H17 F2 N O7
SMILES:OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O
InChi:InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1
Synonyms:(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid
Definition date:2017-06-07
Last modified:2020-07-17
Release date:2018-02-21
Identifier:(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R)-1,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
9T7
9T7
Name:(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:C11 H17 F2 N O7
SMILES:OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa ne-2-carboxylic acid
Definition date:2017-06-07
Last modified:2020-07-17
Release date:2018-02-21
Identifier:(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
46Z
46Z
Name:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
Formula:C12 H16 F O7 P
SMILES:O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2
InChi:InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
Synonyms:Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:2011-05-12
Last modified:2020-07-17
Identifier:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
49A
49A
Name:4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Formula:C11 H19 N3 O6
SMILES:O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(C=1)N
InChi:InChI=1S/C11H19N3O6/c1-4(15)14-8-5(13)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,16-17H,3,12-13H2,1H3,(H,14,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Definition date:2000-07-26
Last modified:2020-07-17
Identifier:5-(acetylamino)-4,9-diamino-2,6-anhydro-3,4,5,9-tetradeoxy-D-glycero-D-galacto-non-2-enonic acid
4AM
4AM
Name:4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Formula:C11 H18 N2 O7
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(C=1)N
InChi:InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:4-amino-Neu5Ac2en
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid
FCA
FCA
Name:alpha-D-fucopyranose
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
Synonyms:alpha-D-fucose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:6-deoxy-alpha-D-galactopyranose
FCB
FCB
Name:beta-D-fucopyranose
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
Synonyms:beta-D-fucose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:6-deoxy-beta-D-galactopyranose
4CQ
4CQ
Name:6-O-alpha-D-Glucosyl-beta-cyclodextrin
Formula:C48 H80 O40
SMILES:OC1C(C(O)C(CO)OC1OCC5C6OC2OC(CO)C(C(C2O)O)OC3OC(CO)C(C(C3O)O)OC4OC(CO)C(C(C4O)O)OC9OC(C(OC8OC(C(OC7OC(C(OC(O5)C(C6O)O)C(C7O)O)CO)C(C8O)O)CO)C(C9O)O)CO)O
InChi:InChI=1S/C48H80O40/c49-1-9-17(56)18(57)26(65)41(74-9)73-8-16-40-25(64)33(72)48(81-16)87-39-15(7-55)79-46(31(70)23(39)62)85-37-13(5-53)77-44(29(68)21(37)60)83-35-11(3-51)75-42(27(66)19(35)58)82-34-10(2-50)76-43(28(67)20(34)59)84-36-12(4-52)78-45(30(69)22(36)61)86-38-14(6-54)80-47(88-40)32(71)24(38)63/h9-72H,1-8H2/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-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-/m1/s1
Definition date:2015-02-27
Last modified:2020-07-17
Release date:2015-04-01
Identifier:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)
FFX
FFX
Name:(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
Formula:C5 H8 F2 O4
SMILES:FC1OC(F)C(O)C(O)C1O
InChi:InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+
Definition date:2010-10-27
Last modified:2020-07-17
Identifier:(2R,3S,4s,5R,6S)-2,6-difluorotetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

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