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K99
K99
表記:(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
組成式:C9 H14 F2 O8
SMILES:OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1
別名:(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
定義日:2010-11-26
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ALL
ALL
表記:beta-D-allopyranose
組成式:C6 H12 O6
SMILES:C1(C(C(C(C(CO)O1)O)O)O)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-/m1/s1
別名:beta-D-allose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:beta-D-allopyranose
ALX
ALX
表記:2-O-phosphono-alpha-D-glucopyranose
組成式:C6 H13 O9 P
SMILES:O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
別名:2-O-phosphono-alpha-D-glucose
定義日:2014-09-11
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:2-O-phosphono-alpha-D-glucopyranose
AMG
AMG
表記:methyl alpha-D-galactopyranoside
組成式:C7 H14 O6
SMILES:OC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
別名:ALPHA-METHYL-D-GALACTOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl alpha-D-galactopyranoside
AMN
AMN
表記:methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C12 H22 N2 O8
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CN)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C12H22N2O8/c1-5(15)14-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-13/h6-10,16-18H,3-4,13H2,1-2H3,(H,14,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
別名:9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl 5-(acetylamino)-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
BWG
BWG
表記:N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine
組成式:C11 H16 N2 O6 S
SMILES:O1C(CO)C(O)C(O)C(O)C1Nc2ncc(s2)C(O)C
InChi:InChI=1S/C11H18N2O6S/c1-4(15)6-2-12-11(20-6)13-10-9(18)8(17)7(16)5(3-14)19-10/h2,4-5,7-10,14-18H,3H2,1H3,(H,12,13)/t4-,5-,7-,8+,9+,10+/m1/s1
別名:N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine
定義日:2013-01-28
最終更新日:2020-07-17
公開日:2013-07-10
識別子（ID）:N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine
BXP
BXP
表記:4-O-beta-D-xylopyranosyl-beta-D-xylopyranose
組成式:C10 H18 O9
SMILES:O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O
InChi:InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
別名:XYLOBIOSE
定義日:2006-11-09
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-xylopyranosyl-beta-D-xylopyranose
BXX
BXX
表記:beta-D-arabinofuranose
組成式: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-/m1/s1
別名:beta-D-arabinose
定義日:2009-06-04
最終更新日:2020-07-17
識別子（ID）:beta-D-arabinofuranose
BXY
BXY
表記:alpha-D-arabinofuranose
組成式: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+/m1/s1
別名:alpha-D-arabinose
定義日:2009-06-04
最終更新日:2020-07-17
識別子（ID）:alpha-D-arabinofuranose
W9T
W9T
表記:4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
組成式:C12 H22 O11
SMILES:OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO
InChi:InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
定義日:2013-04-23
最終更新日:2020-07-17
公開日:2014-03-19
識別子（ID）:4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
BZD
BZD
表記:N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
組成式:C14 H18 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccccc2
InChi:InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
別名:N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA
定義日:2001-09-20
最終更新日:2020-07-17
識別子（ID）:N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
C3B
C3B
表記:4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one
組成式:C10 H15 N3 O6
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-8(17)7(16)6(15)4(3-14)19-9/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7+,8-,9-/m1/s1
別名:1-D-glucopyranosyl-cytosine
定義日:2007-11-16
最終更新日:2020-07-17
識別子（ID）:4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one
C3G
C3G
表記:4-nitrophenyl beta-D-glucopyranosiduronic acid
組成式:C12 H13 N O9
SMILES:C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O
InChi:InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
別名:4-nitrophenyl beta-D-glucosiduronic acid
定義日:2017-09-11
最終更新日:2020-07-17
公開日:2017-12-20
識別子（ID）:4-nitrophenyl beta-D-glucopyranosiduronic acid
C3X
C3X
表記:(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside
組成式:C8 H14 O6
SMILES:O(CC1OC1)C2OCC(O)C(O)C2O
InChi:InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1
別名:2,3-EPOXYPROPYL-BETA-D-XYLOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside
C4B
C4B
表記:1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
組成式:C9 H13 N3 O8
SMILES:O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C9H13N3O8/c13-1-2-3(14)4(15)5(16)6(20-2)12-8(18)10-7(17)11-9(12)19/h2-6,13-16H,1H2,(H2,10,11,17,18,19)/t2-,3-,4+,5-,6-/m1/s1
別名:1-beta-D-glucosyl-1,3,5-triazinane-2,4,6-trione
定義日:2007-11-18
最終更新日:2020-07-17
識別子（ID）:1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
C4W
C4W
表記:1-azido-beta-N-acetyl-D-glucosamine
組成式:C8 H14 N4 O5
SMILES:CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-]
InChi:InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1
定義日:2017-11-13
最終更新日:2020-07-17
公開日:2018-07-11
識別子（ID）:~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-azido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
C5X
C5X
表記:3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside
組成式:C10 H18 O6
SMILES:O(CCCC1OC1)C2OCC(O)C(O)C2O
InChi:InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1
別名:4,5-EPOXYPENTYL-BETA-D-XYLOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside
WIA
WIA
表記:methyl 6-thio-beta-D-galactopyranoside
組成式:C7 H14 O5 S
SMILES:C1(OC)C(O)C(O)C(O)C(O1)CS
InChi:InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
別名:methyl 6-thio-beta-D-galactoside
定義日:2003-11-28
最終更新日:2020-07-17
識別子（ID）:methyl 6-thio-beta-D-galactopyranoside
6PY
6PY
表記:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid
組成式:C16 H27 N5 O9
SMILES:N(C1C(C(C(OC(NCCOC)=O)C(CO)O)OC(=C1)C(=O)O)NC(C)=O)/C(N)=N
InChi:InChI=1S/C16H27N5O9/c1-7(23)20-11-8(21-15(17)18)5-10(14(25)26)29-13(11)12(9(24)6-22)30-16(27)19-3-4-28-2/h5,8-9,11-13,22,24H,3-4,6H2,1-2H3,(H,19,27)(H,20,23)(H,25,26)(H4,17,18,21)/t8-,9+,11+,12+,13+/m0/s1
別名:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2- enonic acid
定義日:2016-05-19
最終更新日:2020-07-17
公開日:2016-06-29
識別子（ID）:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2- enonic acid
6PZ
6PZ
表記:5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
組成式:C13 H22 N2 O8
SMILES:C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1
別名:(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid
定義日:2016-05-19
最終更新日:2020-07-17
公開日:2017-03-08
識別子（ID）:(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid
PAV
PAV
表記:(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
組成式:C5 H10 O5
SMILES:OC1(O)C(O)(OCC1O)C
InChi:InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1
定義日:2004-06-16
最終更新日:2020-07-17
識別子（ID）:(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)
6S2
6S2
表記:methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
組成式:C9 H17 N O9 S
SMILES:OC1C(OC(C(C1O)NC(C)=O)OC)COS(O)(=O)=O
InChi:InChI=1S/C9H17NO9S/c1-4(11)10-6-8(13)7(12)5(19-9(6)17-2)3-18-20(14,15)16/h5-9,12-13H,3H2,1-2H3,(H,10,11)(H,14,15,16)/t5-,6-,7-,8-,9-/m1/s1
別名:methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
定義日:2015-03-04
最終更新日:2020-07-17
公開日:2016-04-06
識別子（ID）:methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
PDX
PDX
表記:2,3-di-O-sulfo-alpha-D-glucopyranose
組成式:C6 H12 O12 S2
SMILES:O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO
InChi:InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
別名:2,3-di-O-sulfo-alpha-D-glucose
定義日:2002-10-23
最終更新日:2020-07-17
識別子（ID）:2,3-di-O-sulfo-alpha-D-glucopyranose
6UD
6UD
表記:5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid
組成式:C11 H20 N4 O7
SMILES:C(C=1OC(C(C(C=1)O)NC(=O)C)C(C(O)CNNN)O)(=O)O
InChi:InChI=1S/C11H20N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,13,15,17-19H,3,12H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
別名:(2~{R},3~{R},4~{S})-3-acetamido-2-[(1~{R},2~{R})-3-(2-azanylhydrazinyl)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-3,4-dihydro -2~{H}-pyran-6-carboxylic acid
定義日:2016-06-27
最終更新日:2020-07-17
公開日:2017-06-28
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid
PH5
PH5
表記:benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C19 H27 N O9
SMILES:O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2
InChi:InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1
別名:2-PHENYL-PROP5AC
定義日:2005-06-27
最終更新日:2020-07-17
識別子（ID）:benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

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