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9T7
9T7
表記:(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
組成式:C11 H17 F2 N O7
SMILES:OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1
別名:(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa ne-2-carboxylic acid
定義日:2017-06-07
最終更新日:2020-07-17
公開日:2018-02-21
識別子（ID）:(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
9VP
9VP
表記:5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
組成式:C11 H18 F N O7
SMILES:OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C
InChi:InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1
別名:5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
定義日:2017-06-15
最終更新日:2020-07-17
公開日:2018-02-21
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
9WJ
9WJ
表記:4-acetamido-4,6-dideoxy-beta-D-mannopyranose
組成式:C8 H15 N O5
SMILES:OC1C(C(OC(C1NC(=O)C)C)O)O
InChi:InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1
別名:4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
定義日:2017-06-19
最終更新日:2020-07-17
公開日:2018-10-24
識別子（ID）:4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
9WN
9WN
表記:(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid
組成式:C9 H16 O9
SMILES:OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1
別名:(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
定義日:2017-07-20
最終更新日:2020-07-17
公開日:2018-08-08
識別子（ID）:(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
9WZ
9WZ
表記:2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside
組成式:C14 H20 O8
SMILES:OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
InChi:InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
別名:(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
定義日:2017-07-21
最終更新日:2020-07-17
公開日:2018-11-28
識別子（ID）:(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
9YW
9YW
表記:(alpha-D-glucopyranosyloxy)acetic acid
組成式:C8 H14 O8
SMILES:OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1
別名:Glucosylglycolate
定義日:2017-08-05
最終更新日:2020-07-17
公開日:2018-08-29
識別子（ID）:2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoic acid
604
604
表記:2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e
組成式:C19 H21 Br N2 O10 S
SMILES:Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O
InChi:InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1
別名:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
定義日:2016-01-07
最終更新日:2020-07-17
公開日:2016-03-30
識別子（ID）:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
61J
61J
表記:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
組成式:C8 H17 O7 P
SMILES:C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
InChi:InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1
定義日:2016-01-13
最終更新日:2020-07-17
公開日:2016-03-02
識別子（ID）:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
62I
62I
表記:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
組成式:C13 H24 N2 O11 S2
SMILES:C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N
InChi:InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1
定義日:2015-05-21
最終更新日:2020-07-17
公開日:2015-08-26
識別子（ID）:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
64K
64K
表記:alpha-D-arabinopyranose
組成式:C5 H10 O5
SMILES:OC1C(OCC(C1O)O)O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1
別名:alpha-D-arabinose
定義日:2016-01-25
最終更新日:2020-07-17
公開日:2016-03-02
識別子（ID）:alpha-D-arabinopyranose
66O
66O
表記:alpha-L-6-dexoy-gulopyranose
組成式:C6 H12 O5
SMILES:C1(C(C(C(O)C(C)O1)O)O)O
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
別名:alpha-L-6-dexoy-gulose
定義日:2016-02-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-deoxy-alpha-L-gulopyranose
6BG
6BG
表記:6-bromo-6-deoxy-beta-D-glucopyranose
組成式:C6 H11 Br O5
SMILES:BrCC1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
別名:6-bromo-6-deoxy-beta-D-glucose
定義日:2012-08-08
最終更新日:2020-07-17
公開日:2012-10-12
識別子（ID）:6-bromo-6-deoxy-beta-D-glucopyranose
6C2
6C2
表記:methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid
組成式:C9 H15 N O7
SMILES:OC1C(OC(C(C1O)NC(=O)C)OC)C(O)=O
InChi:InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6+,7+,9-/m1/s1
別名:methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid
定義日:2015-03-05
最終更新日:2020-07-17
公開日:2016-04-06
識別子（ID）:methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid
CDR
CDR
表記:(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol
組成式:C6 H12 O3
SMILES:OC1C(OC(O)CC1)C
InChi:InChI=1S/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1
別名:2,3-DIDEOXYFUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol
CEG
CEG
表記:4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose
組成式:C9 H14 O8
SMILES:O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C
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
別名:4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-GLUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose
CEZ
CEZ
表記:4-O-beta-D-glucopyranosyl-D-gluconic acid
組成式:C12 H22 O12
SMILES:O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O
InChi:InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
別名:cellobionic acid
定義日:2015-05-12
最終更新日:2020-07-17
公開日:2015-06-10
識別子（ID）:4-O-beta-D-glucopyranosyl-D-gluconic acid
CGF
CGF
表記:C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE
組成式:C7 H14 N4 O6
SMILES:[N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N
InChi:InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1
定義日:2003-04-25
最終更新日:2020-07-17
識別子（ID）:(2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
CJB
CJB
表記:1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione
組成式:C10 H14 N2 O7
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m1/s1
別名:1-D-glucopyranosyl-uracil
定義日:2007-11-16
最終更新日:2020-07-17
識別子（ID）:1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
CKB
CKB
表記:1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione
組成式:C11 H16 N2 O7
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1
別名:1-D-glucopyranosyl-thymine
定義日:2007-11-16
最終更新日:2020-07-17
識別子（ID）:1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione
CKP
CKP
表記:6-O-phosphono-beta-D-psicofuranosonic acid
組成式:C6 H11 O10 P
SMILES:O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1
別名:(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID
定義日:2006-01-19
最終更新日:2020-07-17
識別子（ID）:6-O-phosphono-beta-D-psicofuranosonic acid
CNP
CNP
表記:2-propenyl-N-acetyl-neuraminic acid
組成式:C14 H23 N O8
SMILES:O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)CC=C
InChi:InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
別名:2-PROPENYL-N-ACETYL-NEURAMIC ACID
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid
57S
57S
表記:4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
組成式:C13 H26 N O13 P
SMILES:C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O
InChi:InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/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
別名:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
定義日:2015-08-12
最終更新日:2020-07-17
公開日:2015-11-11
識別子（ID）:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
5DI
5DI
表記:alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
組成式: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
別名:2-OXO-1,2,DIDEOXY-5F-D-IDOPYRANOSE
定義日:2012-03-14
最終更新日:2020-07-17
公開日:2013-03-27
識別子（ID）:alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
5GF
5GF
表記:5-fluoro-beta-D-glucopyranose
組成式: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
別名:5-fluoro-beta-D-glucose
定義日:2012-09-09
最終更新日:2020-07-17
公開日:2012-11-09
識別子（ID）:(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)
3LJ
3LJ
表記:2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
組成式:C6 H13 N O8 S
SMILES:O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O
InChi:InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
別名:N-acetyl-6-O-sulfo-alpha-D-glucosamine
定義日:2014-09-12
最終更新日:2020-07-17
公開日:2014-11-05
識別子（ID）:2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose

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