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H6Q
H6Q
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9+/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
H6Z
H6Z
Name:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose
Formula:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9-/m0/s1
Synonyms:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Definition date:2018-11-19
Last modified:2020-07-17
Release date:2019-01-23
Identifier:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
1S3
1S3
Name:(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
Formula:C6 H11 O8 P
SMILES:O=P1(OC2C(O)C(O)C(OC2O1)CO)O
InChi:InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:Glucose1,2cyclic phosphate
Definition date:2013-05-15
Last modified:2020-07-17
Release date:2013-12-11
Identifier:(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
1S4
1S4
Name:alpha-muramic acid
Formula:C9 H17 N O7
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
Synonyms:muramic acid
Definition date:2013-05-15
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose
1SD
1SD
Name:(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
Formula:C6 H13 N O7 S
SMILES:O=S(=O)(N)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
Synonyms:(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide
Definition date:2009-06-02
Last modified:2020-07-17
Identifier:(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
HBZ
HBZ
Name:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:C14 H18 N2 O8
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(O)cc2
InChi:InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:2008-02-12
Last modified:2020-07-17
Identifier:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
HD4
HD4
Name:4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
Formula:C13 H26 N O13 P
SMILES:C1(OC(CO)C(O)C(COP(O)(O)=O)O)C(NC(C)=O)C(C(C(O1)CO)O)O
InChi:InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)8(3-16)27-13(9)26-7(2-15)10(19)6(18)4-25-28(22,23)24/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13+/m0/s1
Synonyms:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
Definition date:2018-06-26
Last modified:2020-07-17
Release date:2018-08-29
Identifier:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
LOX
LOX
Name:(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol
Formula:C5 H10 N2 O4
SMILES:OC1C(=NO)NCC(O)C1O
InChi:InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1
Synonyms:3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME
Definition date:2000-08-17
Last modified:2020-07-17
Identifier:(2Z,3S,4S,5R)-3,4,5-trihydroxypiperidin-2-one oxime
LRH
LRH
Name:6-deoxy-beta-L-fructofuranose
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC1(O)CO)C
InChi:InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
Synonyms:6-deoxy-beta-L-fructose
Definition date:2007-04-13
Last modified:2020-07-17
Identifier:6-deoxy-beta-L-fructofuranose
LVO
LVO
Name:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Formula:C21 H36 N4 O8
SMILES:O=C(OCC(O)C(OC)C1OC(=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCCC
InChi:InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
Synonyms:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Definition date:2011-09-07
Last modified:2020-07-17
Identifier:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
LVQ
LVQ
Name:octa-anionic calixarene
Formula:C38 H37 As Na O25 S4
SMILES:C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)=O)[S](O)(=O)=O
InChi:InChI=1S/C38H38AsO25S4.Na/c1-39(2,47)64-34(46)18-63-38-25-5-23-11-28(66(51,52)53)9-21(36(23)61-16-32(42)43)3-19-7-27(65(48,49)50)8-20(35(19)60-15-31(40)41)4-22-10-29(67(54,55)56)12-24(37(22)62-17-33(44)45)6-26(38)14-30(13-25)68(57,58)59
Definition date:2019-09-17
Last modified:2020-07-17
Release date:2020-07-22
LVZ
LVZ
Name:propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:C9 H19 N O11 S2
SMILES:O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O
InChi:InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside
Definition date:2012-07-18
Last modified:2020-07-17
Release date:2013-07-31
Identifier:propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
LXC
LXC
Name:beta-L-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-/m0/s1
Synonyms:beta-L-xylose
Definition date:2002-03-13
Last modified:2020-07-17
Identifier:beta-L-xylopyranose
1X4
1X4
Name:2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose
Formula:C5 H11 O6 P
SMILES:O=P(OCC1OC(O)CC1)(O)O
InChi:InChI=1S/C5H11O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1
Synonyms:2,3-dideoxyribose-5-phosphate
Definition date:2013-07-22
Last modified:2020-07-17
Release date:2013-07-31
Identifier:[(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
LZ0
LZ0
Name:[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
Formula:C11 H17 N3 O6
SMILES:O=CCn1nncc1COC2OC(C(O)C(O)C2O)C
InChi:InChI=1S/C11H17N3O6/c1-6-8(16)9(17)10(18)11(20-6)19-5-7-4-12-13-14(7)2-3-15/h3-4,6,8-11,16-18H,2,5H2,1H3/t6-,8+,9+,10-,11+/m0/s1
Synonyms:[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactoside
Definition date:2008-05-22
Last modified:2020-07-17
Identifier:[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
M1F
M1F
Name:alpha-maltose 1-phosphate
Formula:C12 H23 O14 P
SMILES:O=P(O)(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)O
InChi:InChI=1S/C12H23O14P/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
Definition date:2014-01-21
Last modified:2020-07-17
Release date:2014-05-21
Identifier:4-O-alpha-D-glucopyranosyl-1-O-phosphono-alpha-D-glucopyranose
M1P
M1P
Name:1-O-phosphono-alpha-D-mannopyranose
Formula:C6 H13 O9 P
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
Synonyms:ALPHA-D-MANNOSE 1-PHOSPHATE
Definition date:2003-05-22
Last modified:2020-07-17
Identifier:1-O-phosphono-alpha-D-mannopyranose
M2F
M2F
Name:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside
Formula:C12 H13 F N2 O9
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
InChi:InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9+,10-,11-,12-/m1/s1
Synonyms:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannoside
Definition date:2009-03-02
Last modified:2020-07-17
Identifier:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside
AF1
AF1
Name:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
Formula:C13 H23 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1
Synonyms:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
AFD
AFD
Name:alpha-D-allopyranose
Formula:C6 H12 O6
SMILES:C1(O)OC(C(C(C1O)O)O)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:alpha-D-allose
Definition date:2012-08-31
Last modified:2020-07-17
Release date:2012-12-07
Identifier:alpha-D-allopyranose
AFO
AFO
Name:octyl alpha-D-arabinofuranoside
Formula:C13 H26 O5
SMILES:O(CCCCCCCC)C1OC(C(O)C1O)CO
InChi:InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
Synonyms:octyl alpha-D-arabinoside
Definition date:2010-12-06
Last modified:2020-07-17
Identifier:octyl alpha-D-arabinofuranoside
AFP
AFP
Name:1,6-di-O-phosphono-alpha-D-fructofuranose
Formula:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
Synonyms:ALPHA FRUCTOSE 1,6-DIPHOSPHATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:1,6-di-O-phosphono-alpha-D-fructofuranose
AFR
AFR
Name:alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
Formula:C6 H9 F O5
SMILES:O=C1C(O)C(O)C(F)(OC1)CO
InChi:InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6-/m1/s1
Synonyms:2-OXO-1,2,DIDEOXY-5F-D-GLUCOPYRANOSE
Definition date:2012-03-14
Last modified:2020-07-17
Release date:2013-03-27
Identifier:alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
AGL
AGL
Name:4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:C6 H13 N O4
SMILES:OC1C(N)C(OC(O)C1O)C
InChi:InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Synonyms:4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-amino-4,6-dideoxy-alpha-D-glucopyranose
AGR
AGR
Name:[(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Formula:C17 H31 O18 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC3C(OC(OC2OC(CO)C(O)C(O)C2O)(CO)C3O)CO)O
InChi:InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1
Synonyms:agrocinopine A
Definition date:2014-03-12
Last modified:2020-07-17
Release date:2015-08-19
Identifier:(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl (2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl hydrogen (R)-phosphate (non-preferred name)

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数据于2025-11-19公开中

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