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5TJ
5TJ
表記:[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
組成式:C6 H12 O10 S2
SMILES:OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1OSO
InChi:InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)5(16-18(11,12)13)3(8)6(9)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
別名:[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
定義日:2015-11-28
最終更新日:2020-07-17
公開日:2016-11-02
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
5TK
5TK
表記:(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
組成式:C6 H12 O7 S
SMILES:OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1OSO
InChi:InChI=1S/C6H12O7S/c7-1-2-5(13-14-11)3(8)4(9)6(10)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
別名:(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
定義日:2015-11-28
最終更新日:2020-07-17
公開日:2016-11-02
識別子（ID）:(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
5TM
5TM
表記:[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
組成式:C6 H12 O10 S2
SMILES:OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](OSO)[CH]1O
InChi:InChI=1S/C6H12O10S2/c7-1-2-3(8)4(15-17-10)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
別名:[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
定義日:2015-11-28
最終更新日:2020-07-17
公開日:2016-11-02
識別子（ID）:[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
Z4K
Z4K
表記:2-O-sulfo-alpha-D-glucopyranose
組成式:C6 H12 O9 S
SMILES:O=S(=O)(OC1C(O)C(O)C(OC1O)CO)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
別名:2-O-sulfo-alpha-D-glucose
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2016-11-02
識別子（ID）:2-O-sulfo-alpha-D-glucopyranose
Z4S
Z4S
表記:1,6-anhydro-N-acetyl-beta-D-glucopyranosamine
組成式:C8 H13 N O5
SMILES:O=C(NC2C(O)C(O)C1OC2OC1)C
InChi:InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1
別名:N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2018-03-14
識別子（ID）:N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)
SWE
SWE
表記:alpha-D-fructofuranosyl alpha-D-glucopyranoside
組成式:C12 H22 O11
SMILES:O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
定義日:2009-09-17
最終更新日:2020-07-17
識別子（ID）:alpha-D-fructofuranosyl alpha-D-glucopyranoside
RAF
RAF
表記:raffinose
組成式:C18 H32 O16
SMILES:O2C(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)C2OC3(OC(C(O)C3O)CO)CO
InChi:InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
定義日:2008-01-28
最終更新日:2020-07-17
識別子（ID）:beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
Z57
Z57
表記:(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol
組成式:C12 H15 Br O7
SMILES:Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:InChI=1S/C12H15BrO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
定義日:2010-07-01
最終更新日:2020-07-17
識別子（ID）:(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol
SIA
SIA
表記:N-acetyl-alpha-neuraminic acid
組成式:C11 H19 N O9
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
別名:N-acetylneuraminic acid
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
QW7
QW7
表記:1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole
組成式:C27 H27 Cl2 N3 O
SMILES:CC(c1c(ccc(c1Cl)OC)Cl)n5cnc4ccc(c3c(C2NCCCC2)cccc3)cc45
InChi:InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1
定義日:2020-01-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole
SID
SID
表記:methyl 9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C14 H23 N O9 S
SMILES:O=C(SCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C)C
InChi:InChI=1S/C14H23NO9S/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)24-12(10)11(20)9(19)5-25-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
別名:methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:2009-07-24
最終更新日:2020-07-17
識別子（ID）:methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
RP5
RP5
表記:5-O-phosphono-beta-D-ribofuranose
組成式:C5 H11 O8 P
SMILES:O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
別名:[(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
定義日:2003-04-30
最終更新日:2020-07-17
識別子（ID）:5-O-phosphono-beta-D-ribofuranose
RP6
RP6
表記:5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
組成式:C14 H21 N O8
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C
InChi:InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1
別名:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
定義日:2010-10-27
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
SIO
SIO
表記:methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C16 H25 N O11
SMILES:O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C
InChi:InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1
別名:methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:2008-03-20
最終更新日:2020-07-17
識別子（ID）:methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
TQY
TQY
表記:6-O-octanoyl-alpha-D-glucopyranose
組成式:C14 H26 O7
SMILES:C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
定義日:2020-03-30
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-O-octanoyl-alpha-D-glucopyranose
TCB
TCB
表記:THIOCELLOBIOSE
組成式:C12 H22 O10 S
SMILES:S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
定義日:2001-04-16
最終更新日:2020-07-17
識別子（ID）:4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose
Z6W
Z6W
表記:(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
組成式:C14 H28 O6
SMILES:OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC
InChi:InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
VTB
VTB
表記:7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose
組成式:C7 H15 O10 P
SMILES:OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1
別名:[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
定義日:2015-06-19
最終更新日:2020-07-17
公開日:2015-10-14
識別子（ID）:[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
TCG
TCG
表記:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
組成式:C33 H59 N4 O20
SMILES:O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C
InChi:InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
別名:TMG-chitotriomycin
定義日:2012-06-14
最終更新日:2020-07-17
公開日:2013-01-11
識別子（ID）:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
SIZ
SIZ
表記:2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose
組成式:C8 H13 F2 N O6
SMILES:OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1
別名:N-DIFLUOROACETYL-D-GALACTOSAMINE
定義日:2015-12-14
最終更新日:2020-07-17
公開日:2016-03-30
識別子（ID）:2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
TRE
TRE
表記:TREHALOSE
組成式:C12 H22 O11
SMILES:O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
定義日:2000-04-19
最終更新日:2020-07-17
識別子（ID）:alpha-D-glucopyranosyl alpha-D-glucopyranoside
U63
U63
表記:2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
組成式:C12 H21 F O10
SMILES:FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
InChi:InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12+/m1/s1
定義日:2014-10-06
最終更新日:2020-07-17
公開日:2015-01-14
識別子（ID）:2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
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
YO5
YO5
表記:(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
組成式:C7 H15 O8 P
SMILES:O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1
別名:Beta-1 phosphonomethylene-D-glucopyranose
定義日:2013-09-09
最終更新日:2020-07-17
公開日:2014-07-16
識別子（ID）:(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
TRV
TRV
表記:6-O-octanoyl-beta-D-fructofuranose
組成式:C14 H26 O7
SMILES:OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
定義日:2020-03-30
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-O-octanoyl-beta-D-fructofuranose

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