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A1APB
A1APB
Name:2-O-sulfo-beta-D-galactopyranose
Formula:C6 H12 O9 S
SMILES:OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O
InChi:InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Definition date:2024-04-20
Last modified:2025-08-22
Release date:2025-08-27
Identifier:2-O-sulfo-beta-D-galactopyranose
Z4W
Z4W
Name:beta-D-lyxopyranose
Formula:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1
Synonyms:beta-D-lyxose
Definition date:2012-12-18
Last modified:2025-07-15
Release date:2020-07-29
Identifier:beta-D-lyxopyranose
A1JAQ
A1JAQ
Name:1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose
Formula:C6 H13 N O4
SMILES:C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1
Synonyms:1-amino-1-deoxy-b-L-fucopyranoside
Definition date:2025-04-09
Last modified:2025-04-11
Release date:2025-04-16
Identifier:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol
HLA
HLA
Name:4,6-O-[(1R)-1-carboxyethylidene]-D-galactopyranose
Formula:C9 H14 O8
SMILES:O=C(O)C1(C)OCC2OC(O)C(O)C(O)C2O1
InChi:InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1
Definition date:2018-07-10
Last modified:2025-04-09
Release date:2019-07-17
Identifier:4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranose
ED6
ED6
Name:6-deoxy-1-O-phosphono-beta-L-galactopyranose
Formula:C6 H13 O8 P
SMILES:OP(O)(OC1OC(C)C(O)C(O)C1O)=O
InChi:InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Definition date:2019-12-11
Last modified:2025-02-28
Release date:2025-03-05
Identifier:6-deoxy-1-O-phosphono-beta-L-galactopyranose
WKO
WKO
Name:2-O-acetyl-beta-D-xylopyranose
Formula:C7 H12 O6
SMILES:OC1OCC(O)C(O)C1OC(C)=O
InChi:InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1
Definition date:2023-10-06
Last modified:2025-02-24
Release date:2025-02-24
Identifier:2-O-acetyl-beta-D-xylopyranose
WKT
WKT
Name:3-O-acetyl-beta-D-xylopyranose
Formula:C7 H12 O6
SMILES:OC1C(OC(C)=O)C(O)COC1O
InChi:InChI=1S/C7H12O6/c1-3(8)13-6-4(9)2-12-7(11)5(6)10/h4-7,9-11H,2H2,1H3/t4-,5-,6+,7-/m1/s1
Definition date:2023-10-06
Last modified:2025-02-24
Release date:2025-02-24
Identifier:3-O-acetyl-beta-D-xylopyranose
A1H1B
A1H1B
Name:D-glycero-beta-D-galacto-heptopyranose
Formula:C7 H14 O7
SMILES:OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
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-/m1/s1
Synonyms:D-glycero-beta-D-galacto-heptose
Definition date:2023-12-21
Last modified:2024-12-27
Release date:2025-01-01
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol
A1H1F
A1H1F
Name:6-deoxy-6-sulfo-beta-D-galacto-heptopyranose
Formula:C6 H12 O8 S
SMILES:O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Synonyms:6-deoxy-6-sulfo-beta-D-galacto-heptose
Definition date:2023-12-21
Last modified:2024-12-27
Release date:2025-01-01
Identifier:[(2~{S},3~{R},4~{S},5~{R},6~{R})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid
A1A1Q
A1A1Q
Name:(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide
Formula:C28 H26 Cl2 F2 N4 O3
SMILES:O=C(/C=C/c1[NH]cc(C(=O)NC(CC(N)=O)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCCCC1
InChi:InChI=1S/C28H26Cl2F2N4O3/c29-17-5-6-18(22(32)13-17)27-19(15-34-23(27)8-9-26(38)36-10-2-1-3-11-36)28(39)35-24(14-25(33)37)16-4-7-21(31)20(30)12-16/h4-9,12-13,15,24,34H,1-3,10-11,14H2,(H2,33,37)(H,35,39)/b9-8+/t24-/m0/s1
Definition date:2024-08-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide
B6D
B6D
Name:2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Formula:C10 H18 N2 O5
SMILES:O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
Synonyms:2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
Definition date:2008-05-01
Last modified:2024-09-27
Identifier:2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
X2F
X2F
Name:2-deoxy-2-fluoro-alpha-D-xylopyranose
Formula:C5 H9 F O4
SMILES:FC1C(O)C(O)COC1O
InChi:InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1
Synonyms:2-DEOXY-2-FLUORO XYLOPYRANOSE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-alpha-D-xylopyranose
B9D
B9D
Name:5-fluoro-alpha-L-idopyranose
Formula:C6 H11 F O6
SMILES:FC1(OC(O)C(O)C(O)C1O)CO
InChi:InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Definition date:2009-08-18
Last modified:2024-09-27
Identifier:(2R,3R,4R,5S,6R)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)
A2G
A2G
Name:2-acetamido-2-deoxy-alpha-D-galactopyranose
Formula:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
Synonyms:N-acetyl-alpha-D-galactosamine
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-(acetylamino)-2-deoxy-alpha-D-galactopyranose
XYF
XYF
Name:5(R)-fluoro-beta-D-xylopyranose
Formula:C5 H8 F O5
SMILES:[O-]C1OC(F)C(O)C(O)C1O
InChi:InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1
Synonyms:5(R)-fluoro-beta-D-xylose
Definition date:2004-10-23
Last modified:2024-09-27
Identifier:(2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name)
XYP
XYP
Name:beta-D-xylopyranose
Formula:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
Synonyms:beta-D-xylose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:beta-D-xylopyranose
XYS
XYS
Name:alpha-D-xylopyranose
Formula:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
Synonyms:alpha-D-xylose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:alpha-D-xylopyranose
N1L
N1L
Name:2-amino-2-deoxy-beta-D-glucopyranuronic acid
Formula:C6 H11 N O6
SMILES:O=C(O)C1OC(O)C(N)C(O)C1O
InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
Synonyms:2-amino-2-deoxy-beta-D-glucuronic acid
Definition date:2008-03-11
Last modified:2024-09-27
Identifier:2-amino-2-deoxy-beta-D-glucopyranuronic acid
BDF
BDF
Name:beta-D-fructopyranose
Formula:C6 H12 O6
SMILES:OC1C(O)(OCC(O)C1O)CO
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:beta-D-fructose
Definition date:2002-11-01
Last modified:2024-09-27
Identifier:beta-D-fructopyranose
ZDC
ZDC
Name:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:C8 H14 O6
SMILES:O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:2012-12-17
Last modified:2024-09-27
Release date:2016-02-10
Identifier:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
BDP
BDP
Name:beta-D-glucopyranuronic 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-glucuronic acid
Definition date:2001-11-26
Last modified:2024-09-27
Identifier:beta-D-glucopyranuronic acid
ZGE
ZGE
Name:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
Formula:C12 H19 F N4 O7
SMILES:O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
InChi:InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
Synonyms:(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
Definition date:2012-10-31
Last modified:2024-09-27
Release date:2013-05-01
Identifier:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
BFN
BFN
Name:5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Formula:C18 H23 F N2 O9
SMILES:O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C
InChi:InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1
Synonyms:5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Definition date:2007-11-07
Last modified:2024-09-27
Identifier:5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
BGC
BGC
Name:beta-D-glucopyranose
Formula:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:beta-D-glucose
Definition date:2002-01-22
Last modified:2024-09-27
Identifier:beta-D-glucopyranose
BGS
BGS
Name:(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol
Formula:C8 H16 O7 S
SMILES:O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC
InChi:InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Synonyms:BETA-D-GLUCOPYRANOSYLSULFONYLETHANE
Definition date:2005-10-26
Last modified:2024-09-27
Identifier:(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol

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数据于2025-10-08公开中

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