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VG1
VG1
Name:ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Formula:C6 H13 O12 P V
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
InChi:InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13
Definition date:1999-08-24
Last modified:2025-11-11
Identifier:hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium
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
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
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
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
RAM
RAM
Name:alpha-L-rhamnopyranose
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+/m0/s1
Synonyms:alpha-L-rhamnose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:6-deoxy-alpha-L-mannopyranose
ARA
ARA
Name:alpha-L-arabinopyranose
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+/m0/s1
Synonyms:alpha-L-arabinose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:alpha-L-arabinopyranose
RBL
RBL
Name:D-ribulose
Formula:C5 H10 O5
SMILES:O=C(CO)C(O)C(O)CO
InChi:InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1
Definition date:2009-01-26
Last modified:2024-09-27
Release date:2013-11-27
Identifier:D-ribulose
TDD
TDD
Name:(2R)-2-amino-3,3-dimethyl-butanoic acid
Formula:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
Synonyms:D-tert-leucine
Definition date:2008-06-02
Last modified:2024-09-27
Identifier:3-methyl-D-valine
TDF
TDF
Name:4-(trifluoromethyl)-D-phenylalanine
Formula:C10 H10 F3 N O2
SMILES:FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:2011-09-15
Last modified:2024-09-27
Identifier:4-(trifluoromethyl)-D-phenylalanine
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
ASO
ASO
Name:1,5-anhydro-D-glucitol
Formula:C6 H12 O5
SMILES:OC1C(OCC(O)C1O)CO
InChi:InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:1,5-ANHYDROSORBITOL
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:1,5-anhydro-D-glucitol
RST
RST
Name:3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
Formula:C6 H13 N O3
SMILES:OC1C(OC(O)CC1N)C
InChi:InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:RISTOSAMINE
Definition date:2002-09-02
Last modified:2024-09-27
Identifier:3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
TGA
TGA
Name:2-sulfanylethyl beta-D-galactopyranoside
Formula:C8 H16 O6 S
SMILES:OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
Synonyms:METHANETHIOSULFONYL-GALACTOSIDE
Definition date:2011-01-19
Last modified:2024-09-27
Identifier:(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol
RER
RER
Name:vancosamine
Formula:C7 H15 N O3
SMILES:OC1OC(C(O)C(N)(C)C1)C
InChi:InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
Synonyms:(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:2010-09-06
Last modified:2024-09-27
Identifier:3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose
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
5QP
5QP
Name:(1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside
Formula:C13 H24 O10
SMILES:OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C13H24O10/c14-2-4-5(16)1-6(17)8(18)12(4)23-13-11(21)10(20)9(19)7(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13+/m0/s1
Synonyms:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol
Definition date:2015-11-10
Last modified:2024-09-27
Release date:2016-07-06
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida nyl)cyclohexyl]oxy-oxane-3,4,5-triol

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数据于2025-12-03公开中

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