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LXB
LXB
Name:2-acetamido-2-deoxy-beta-D-gulopyranose
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-beta-D-gulosamine
Definition date:2008-07-23
Last modified:2024-09-27
Identifier:2-(acetylamino)-2-deoxy-beta-D-gulopyranose
LXZ
LXZ
Name:2-acetamido-2-deoxy-alpha-D-idopyranose
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-idosamine
Definition date:2008-07-09
Last modified:2024-09-27
Identifier:2-(acetylamino)-2-deoxy-alpha-D-idopyranose
3HD
3HD
Name:1,5-anhydro-3-O-methyl-D-mannitol
Formula:C7 H14 O5
SMILES:O(C)C1C(O)C(OCC1O)CO
InChi:InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
Synonyms:3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
Definition date:2006-06-30
Last modified:2024-09-27
Identifier:1,5-anhydro-3-O-methyl-D-mannitol
OEL
OEL
Name:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
Formula:C13 H20 F N4 O7
SMILES:FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO
InChi:InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1
Definition date:2015-01-12
Last modified:2024-09-27
Release date:2015-02-11
Identifier:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
AHR
AHR
Name:alpha-L-arabinofuranose
Formula:C5 H10 O5
SMILES:OC1C(OC(O)C1O)CO
InChi:InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
Synonyms:alpha-L-arabinose
Definition date:2002-04-23
Last modified:2024-09-27
Identifier:alpha-L-arabinofuranose
AMU
AMU
Name:N-acetyl-beta-muramic acid
Formula:C11 H19 N O8
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:N-acetyl-muramic acid
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose
AMV
AMV
Name:methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:C12 H21 N O8
SMILES:O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Definition date:2006-10-25
Last modified:2024-09-27
Identifier:methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
EPG
EPG
Name:(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside
Formula:C9 H16 O7
SMILES:O(CC1OC1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1
Synonyms:2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Definition date:2002-11-28
Last modified:2024-09-27
Identifier:(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside
ERE
ERE
Name:4-epi-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,4R,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:2010-08-12
Last modified:2024-09-27
Identifier:3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
2DG
2DG
Name:2-deoxy-alpha-D-galactopyranose
Formula:C6 H12 O5
SMILES:OC1C(OC(O)CC1O)CO
InChi:InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
Synonyms:2-deoxy-alpha-D-lyxo-hexopyranose
Definition date:2001-10-02
Last modified:2024-09-27
Identifier:2-deoxy-alpha-D-lyxo-hexopyranose
2DR
2DR
Name:2-deoxy-beta-D-erythro-pentofuranose
Formula:C5 H10 O4
SMILES:OCC1OC(O)CC1O
InChi:InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
Synonyms:2-deoxy-beta-D-ribofuranose
Definition date:2009-07-20
Last modified:2024-09-27
Identifier:2-deoxy-beta-D-erythro-pentofuranose
2FG
2FG
Name:2-deoxy-2-fluoro-beta-D-galactopyranose
Formula:C6 H11 F O5
SMILES:FC1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
Definition date:2001-10-02
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-beta-D-galactopyranose
44S
44S
Name:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
Formula:C6 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
Synonyms:tagatose-6-phosphate, bound form
Definition date:2015-02-11
Last modified:2024-09-27
Release date:2016-01-20
Identifier:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
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:2024-09-27
Identifier:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
4N2
4N2
Name:beta-L-idopyranose
Formula:C6 H12 O6
SMILES:C1(OC(C(C(C1O)O)O)CO)O
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-/m0/s1
Synonyms:beta-L-idose
Definition date:2016-03-21
Last modified:2024-09-27
Release date:2016-06-08
Identifier:beta-L-idopyranose
50A
50A
Name:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
Formula:C5 H10 F O7 P
SMILES:FC1C(O)C(OC1O)COP(=O)(O)O
InChi:InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
Synonyms:Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:2011-05-24
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
55I
55I
Name:4-(trifluoromethyl)-L-phenylalanine
Formula:C10 H10 F3 N O2
SMILES:FC(F)(F)c1ccc(CC(N)C(=O)O)cc1
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-/m0/s1
Definition date:2021-07-16
Last modified:2024-09-27
Release date:2021-09-29
Identifier:4-(trifluoromethyl)-L-phenylalanine
5GF
5GF
Name:5-fluoro-beta-D-glucopyranose
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:5-fluoro-beta-D-glucose
Definition date:2012-09-09
Last modified:2024-09-27
Release date:2012-11-09
Identifier:(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)
A1H0P
A1H0P
Name:3-O-sulfo-alpha-D-mannopyranose
Formula:C6 H12 O9 S
SMILES:OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
Synonyms:[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate
Definition date:2023-12-16
Last modified:2024-08-23
Release date:2024-08-28
Identifier:[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate
NOJ
NOJ
Name:1-DEOXYNOJIRIMYCIN
Formula:C6 H13 N O4
SMILES:OC1C(NCC(O)C1O)CO
InChi:InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Synonyms:MORANOLINE
Definition date:1999-07-08
Last modified:2024-08-16
Identifier:(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
A1H1V
A1H1V
Name:3-O-sulfo-alpha-L-idopyranuronic acid
Formula:C6 H10 O10 S
SMILES:O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O
InChi:InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1
Synonyms:O3-SULFO-GLUCURONIC ACID
Definition date:2024-01-09
Last modified:2024-07-12
Release date:2024-07-17
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid
NJL
NJL
Name:(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one
Formula:C19 H14 F2 N2 O3
SMILES:CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3
InChi:InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10-
Definition date:2023-01-17
Last modified:2024-06-14
Release date:2024-06-19
Identifier:(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one
VDF
VDF
Name:2-O-phosphono-beta-L-arabinopyranose
Formula:C5 H11 O8 P
SMILES:O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O
InChi:InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1
Synonyms:2-O-phosphono-beta-L-arabinose
Definition date:2023-03-01
Last modified:2024-01-19
Release date:2024-01-24
Identifier:[(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate
XY9
XY9
Name:2,3,4-tri-O-sulfo-beta-D-xylopyranose
Formula:C5 H10 O14 S3
SMILES:OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
Definition date:2022-08-09
Last modified:2023-11-06
Release date:2023-07-12
Identifier:2,3,4-tri-O-sulfo-beta-D-xylopyranose
YYQ
YYQ
Name:2-acetamido-2-deoxy-alpha-L-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+/m0/s1
Synonyms:N-acetyl-alpha-L-galactosamine
Definition date:2012-12-17
Last modified:2023-09-20
Release date:2020-07-29
Identifier:2-(acetylamino)-2-deoxy-alpha-L-galactopyranose

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数据于2025-12-03公开中

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