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K4W
K4W
表記:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
組成式:C18 H26 N6 O3
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
定義日:2019-04-24
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
X0X
X0X
表記:beta-D-talopyranuronic acid
組成式:C6 H10 O7
SMILES:O=C(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6+/m0/s1
別名:beta-D-taluronic acid
定義日:2015-03-30
最終更新日:2020-07-17
公開日:2015-12-23
識別子（ID）:beta-D-talopyranuronic acid
UDC
UDC
表記:2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
組成式:C13 H23 N O10
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)(C)C(O)CO
InChi:InChI=1S/C13H23NO10/c1-5(17)14-8-10(9(19)6(3-15)23-11(8)20)24-13(2,12(21)22)7(18)4-16/h6-11,15-16,18-20H,3-4H2,1-2H3,(H,14,17)(H,21,22)/t6-,7+,8-,9-,10-,11+,13+/m1/s1
別名:2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
定義日:2007-05-31
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
SQG
SQG
表記:2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
組成式:C10 H7 F3 N2 O2
SMILES:FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
SQM
SQM
表記:4-benzamido-2-methyl-pyrazole-3-carboxamide
組成式:C12 H12 N4 O2
SMILES:Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
InChi:InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-benzamido-2-methyl-pyrazole-3-carboxamide
NTF
NTF
表記:N-(trifluoroacetyl)-beta-D-glucopyranosylamine
組成式:C8 H12 F3 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F)F
InChi:InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-6-5(16)4(15)3(14)2(1-13)18-6/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4+,5-,6-/m1/s1
別名:N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
定義日:2005-01-12
最終更新日:2020-07-17
識別子（ID）:N-(trifluoroacetyl)-beta-D-glucopyranosylamine
QPS
QPS
表記:BETA-ACARBOSE
組成式:C25 H43 N O18
SMILES:O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
別名:4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
定義日:2008-06-03
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
M7B
M7B
表記:7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
組成式:C7 H15 O10 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1
別名:7-O-phosphono-D-glycero-beta-D-manno-heptose
定義日:2012-04-04
最終更新日:2020-07-17
公開日:2012-12-21
識別子（ID）:7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
K5B
K5B
表記:4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
組成式:C8 H12 O7
SMILES:OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
別名:4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
定義日:2017-09-07
最終更新日:2020-07-17
公開日:2018-06-20
識別子（ID）:3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid
SQP
SQP
表記:2-(4-aminophenyl)benzoic acid
組成式:C13 H11 N O2
SMILES:Nc1ccc(cc1)c2ccccc2C(O)=O
InChi:InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2-(4-aminophenyl)benzoic acid
GTK
GTK
表記:beta-D-galactofuranuronic acid
組成式:C6 H10 O7
SMILES:O=C(O)C(O)C1OC(O)C(O)C1O
InChi:InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m1/s1
別名:beta-D-galacturonic acid
定義日:2011-08-15
最終更新日:2020-07-17
識別子（ID）:beta-D-galactofuranuronic acid
TYV
TYV
表記:alpha-D-Tyvelopyranose
組成式:C6 H12 O4
SMILES:OC1C(OC(O)C(O)C1)C
InChi:InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
別名:alpha-D-Tyvelose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:3,6-dideoxy-alpha-D-arabino-hexopyranose
RWI
RWI
表記:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
組成式:C11 H18 N2 O11
SMILES:O=C(NC1C(O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO
InChi:InChI=1S/C11H18N2O11/c14-2-4-7(17)8(18)6(12-11(21)13-22)10(24-4)23-3(9(19)20)1-5(15)16/h3-4,6-8,10,14,17-18,22H,1-2H2,(H,15,16)(H,19,20)(H2,12,13,21)/t3-,4+,6+,7+,8+,10-/m0/s1
別名:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid
定義日:2019-10-09
最終更新日:2020-07-17
公開日:2020-01-08
識別子（ID）:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
GTM
GTM
表記:methyl 4-thio-beta-D-glucopyranoside
組成式:C7 H14 O5 S
SMILES:OC1C(O)C(S)C(OC1OC)CO
InChi:InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7-/m1/s1
別名:O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE
定義日:2003-02-07
最終更新日:2020-07-17
識別子（ID）:methyl 4-thio-beta-D-glucopyranoside
SQV
SQV
表記:methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
組成式:C10 H13 N O3
SMILES:COC(=O)[CH](C)c1cc(OC)ccn1
InChi:InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
GTR
GTR
表記:beta-D-galactopyranuronic acid
組成式:C6 H10 O7
SMILES:C1(C(C(C(C(C(=O)O)O1)O)O)O)O
InChi:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
別名:beta-D-galacturonic acid
定義日:2001-11-15
最終更新日:2020-07-17
識別子（ID）:beta-D-galactopyranuronic acid
XYF
XYF
表記:5(R)-fluoro-beta-D-xylopyranose
組成式:C5 H8 F O5
SMILES:[O-]C1OC(F)C(O)C(O)C1O
InChi:InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1
別名:5(R)-fluoro-beta-D-xylose
定義日:2004-10-23
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name)
XGP
XGP
表記:1-O-phosphono-beta-D-glucopyranose
組成式:C6 H13 O9 P
SMILES:O=P(O)(OC1OC(C(O)C(O)C1O)CO)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
別名:1-O-phosphono-beta-D-glucose
定義日:2009-10-07
最終更新日:2020-07-17
識別子（ID）:1-O-phosphono-beta-D-glucopyranose
SQY
SQY
表記:methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
組成式:C15 H14 Br N O2
SMILES:COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2
InChi:InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
M7P
M7P
表記:7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
組成式:C7 H15 O10 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1
別名:D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE
定義日:2004-08-20
最終更新日:2020-07-17
識別子（ID）:7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose
NFG
NFG
表記:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
組成式: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
別名:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside
定義日:2000-07-07
最終更新日:2020-07-17
識別子（ID）:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
SR1
SR1
表記:5-S-methyl-5-thio-alpha-D-ribofuranose
組成式:C6 H12 O4 S
SMILES:OC1C(OC(O)C1O)CSC
InChi:InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
別名:5-S-methyl-5-thio-alpha-D-ribose
定義日:2005-03-31
最終更新日:2020-07-17
識別子（ID）:5-S-methyl-5-thio-alpha-D-ribofuranose
SR4
SR4
表記:2,3-dihydro-1-benzoxepine-5-carboxylic acid
組成式:C11 H10 O3
SMILES:OC(=O)C1=CCCOc2ccccc12
InChi:InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2,3-dihydro-1-benzoxepine-5-carboxylic acid
X1P
X1P
表記:1-O-phosphono-alpha-D-xylopyranose
組成式:C5 H11 O8 P
SMILES:O=P(OC1OCC(O)C(O)C1O)(O)O
InChi:InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1
別名:1-O-phosphono-alpha-D-xylose
定義日:2006-06-05
最終更新日:2020-07-17
識別子（ID）:1-O-phosphono-alpha-D-xylopyranose
GU0
GU0
表記:2,3,6-tri-O-sulfonato-beta-D-glucopyranose
組成式:C6 H9 O15 S3
SMILES:[O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1O
InChi:InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/p-3/t2-,3-,4+,5-,6-/m1/s1
別名:2,3,6-tri-O-sulfonato-beta-D-glucose
定義日:2004-06-22
最終更新日:2020-07-17
識別子（ID）:2,3,6-tri-O-sulfonato-beta-D-glucopyranose

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