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TVM
TVM
Name:3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose
Formula:C14 H20 O7
SMILES:C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O
InChi:InChI=1S/C14H20O7/c1-19-9-4-2-3-8(5-9)7-20-13-11(16)10(6-15)21-14(18)12(13)17/h2-5,10-18H,6-7H2,1H3/t10-,11+,12-,13+,14-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose
TVS
TVS
Name:prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Formula:C11 H19 N O6
SMILES:CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O
InChi:InChI=1S/C11H19NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
TVV
TVV
Name:3-O-prop-2-yn-1-yl-beta-D-galactopyranose
Formula:C9 H14 O6
SMILES:C1(O)C(O)C(C(C(O1)CO)O)OCC#C
InChi:InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-prop-2-yn-1-yl-beta-D-galactopyranose
TVY
TVY
Name:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
Formula:C14 H21 N O6
SMILES:c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN
InChi:InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
TW7
TW7
Name:2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
Formula:C6 H9 F3 O4
SMILES:C1(F)C(F)(F)C(C(O)C(O1)CO)O
InChi:InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
TWA
TWA
Name:2,3,4-tri-O-sulfo-beta-D-altropyranose
Formula:C6 H12 O15 S3
SMILES:C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O
InChi:InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2,3,4-tri-O-sulfo-beta-D-altropyranose
TWD
TWD
Name:2,3-di-O-sulfo-alpha-L-glucopyranose
Formula:C6 H12 O12 S2
SMILES:C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O
InChi:InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m0/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2,3-di-O-sulfo-alpha-L-glucopyranose
TWJ
TWJ
Name:1-thio-beta-D-talopyranose
Formula:C6 H12 O5 S
SMILES:SC1OC(CO)C(C(O)C1O)O
InChi:InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5+,6+/m1/s1
Definition date:2020-04-01
Last modified:2020-07-17
Release date:2020-07-29
Identifier:1-thio-beta-D-talopyranose
TWY
TWY
Name:4-thio-beta-D-xylopyranose
Formula:C5 H10 O4 S
SMILES:SC1C(C(C(OC1)O)O)O
InChi:InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1
Definition date:2020-04-02
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4-thio-beta-D-xylopyranose
TXB
TXB
Name:4-deoxy-4-thio-alpha-D-xylopyranose
Formula:C5 H10 O4 S
SMILES:O[CH]1OC[CH](S)[CH](O)[CH]1O
InChi:InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5+/m1/s1
Synonyms:(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol
Definition date:2015-08-26
Last modified:2020-07-17
Release date:2016-09-21
Identifier:(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol
TYV
TYV
Name:alpha-D-Tyvelopyranose
Formula:C6 H12 O4
SMILES:OC1C(OC(O)C(O)C1)C
InChi:InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
Synonyms:alpha-D-Tyvelose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:3,6-dideoxy-alpha-D-arabino-hexopyranose
U1Y
U1Y
Name:methyl 6-thio-beta-D-glucopyranoside
Formula:C7 H14 O5 S
SMILES:SCC1OC(C(C(C1O)O)O)OC
InChi:InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Definition date:2020-04-08
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 6-thio-beta-D-glucopyranoside
U2A
U2A
Name:methyl 2-thio-beta-D-glucopyranoside
Formula:C7 H14 O5 S
SMILES:SC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Definition date:2020-04-08
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 2-thio-beta-D-glucopyranoside
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
95Z
95Z
Name:2-amino-2-deoxy-alpha-D-mannopyranose
Formula:C6 H13 N O5
SMILES:N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
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-mannosamine
Definition date:2017-04-25
Last modified:2020-07-17
Release date:2017-12-27
Identifier:(2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol
96O
96O
Name:(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside
Formula:C10 H17 N3 O6
SMILES:C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O
InChi:InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1
Synonyms:(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside
Definition date:2018-01-25
Last modified:2020-07-17
Release date:2019-04-10
Identifier:(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside
9AM
9AM
Name:9-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)CN)C(NC(=O)C)C(O)C=1
InChi:InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Definition date:2000-07-21
Last modified:2020-07-17
Identifier:5-(acetylamino)-9-amino-2,6-anhydro-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid
9GP
9GP
Name:N-(hydroxyacetyl)-beta-D-glucopyranosylamine
Formula:C8 H15 N O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)CO
InChi:InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1
Synonyms:N-(hydroxyacetyl)-beta-D-glucosylamine
Definition date:2009-02-05
Last modified:2020-07-17
Identifier:N-(hydroxyacetyl)-beta-D-glucopyranosylamine
9KJ
9KJ
Name:{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
Formula:C13 H26 N O12 P
SMILES:C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O
InChi:InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1
Synonyms:{[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
Definition date:2017-05-17
Last modified:2020-07-17
Release date:2017-06-07
Identifier:{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
9MR
9MR
Name:(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside
Formula:C12 H23 N O8
SMILES:O(C1C(O)CNCC1CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(16)11(5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1
Synonyms:CELLOBIOSE-LIKE ISOFAGOMINE
Definition date:2007-02-26
Last modified:2020-07-17
Identifier:(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside
9OK
9OK
Name:2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside
Formula:C14 H20 O8
SMILES:OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O
InChi:InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
Synonyms:fructosyl-hydroxytyrosol
Definition date:2017-06-19
Last modified:2020-07-17
Release date:2018-11-28
Identifier:(2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
9PG
9PG
Name:4-nitrophenyl alpha-D-galactopyranoside
Formula:C12 H15 N O8
SMILES:C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
Synonyms:4-nitrophenyl alpha-D-galactoside
Definition date:2015-05-22
Last modified:2020-07-17
Release date:2015-07-29
Identifier:4-nitrophenyl alpha-D-galactopyranoside
9QG
9QG
Name:methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Formula:C10 H18 O8
SMILES:O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
InChi:InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
Synonyms:methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside
Definition date:2017-05-25
Last modified:2020-07-17
Release date:2018-05-23
Identifier:methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
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)

231564

数据于2025-02-19公开中

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