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KO1
KO1
表記:D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid
組成式:C8 H14 O9
SMILES:O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
InChi:InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1
別名:D-glycero-alpha-D-talo-oct-2-ulosonic acid
定義日:2008-01-15
最終更新日:2020-07-17
識別子（ID）:D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid
KO2
KO2
表記:prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
組成式:C11 H18 O9
SMILES:O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1O
InChi:InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1
別名:prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid
定義日:2008-01-18
最終更新日:2020-07-17
識別子（ID）:prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
KOT
KOT
表記:1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
組成式:C14 H17 N3 O5
SMILES:n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO
InChi:InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
別名:1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole
定義日:2009-02-05
最終更新日:2020-07-17
識別子（ID）:1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
0WK
0WK
表記:1,5-anhydro-6-O-phosphono-D-glucitol
組成式:C6 H13 O8 P
SMILES:O=P(O)(O)OCC1OCC(O)C(O)C1O
InChi:InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1
定義日:2012-07-24
最終更新日:2020-07-17
公開日:2013-07-03
識別子（ID）:1,5-anhydro-6-O-phosphono-D-glucitol
0XY
0XY
表記:5-fluoro-N-acetyl-alpha-D-glucosamine
組成式:C8 H14 F N O6
SMILES:FC1(OC(O)C(NC(=O)C)C(O)C1O)CO
InChi:InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1
別名:N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
定義日:2012-09-05
最終更新日:2020-07-17
公開日:2012-12-14
識別子（ID）:N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
0YT
0YT
表記:2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
組成式:C8 H15 N O5 S
SMILES:O=C(NC1C(O)C(O)C(SC1O)CO)C
InChi:InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
別名:2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
定義日:2012-09-18
最終更新日:2020-07-17
公開日:2012-10-26
識別子（ID）:2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
KTU
KTU
表記:prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid
組成式:C11 H16 O7
SMILES:C=CCOC1(C(O)=O)OC(C(CO)O)=CC(C1)O
InChi:InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1
別名:prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid
定義日:2012-10-12
最終更新日:2020-07-17
公開日:2013-01-04
識別子（ID）:prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid
12E
12E
表記:N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
組成式:C13 H18 N4 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccncc2
InChi:InChI=1S/C13H18N4O5S/c18-6-8-9(19)10(20)11(21)12(22-8)16-13(23)17-15-5-7-1-3-14-4-2-7/h1-5,8-12,18-21H,6H2,(H2,16,17,23)/b15-5+/t8-,9-,10+,11-,12-/m1/s1
別名:4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-04-30
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
KWW
KWW
表記:1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
組成式:C19 H18 Cl2 N4 O
SMILES:NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
KX5
KX5
表記:3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
組成式:C21 H19 Cl2 N3 O3
SMILES:OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
KX8
KX8
表記:4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
組成式:C21 H19 Cl2 N3 O3
SMILES:OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
145
145
表記:2-nitrophenyl beta-D-galactopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
別名:1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
定義日:2001-09-26
最終更新日:2020-07-17
識別子（ID）:2-nitrophenyl beta-D-galactopyranoside
147
147
表記:4-nitrophenyl beta-D-galactopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
別名:1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
定義日:2001-09-27
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl beta-D-galactopyranoside
KXE
KXE
表記:3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
組成式:C20 H17 Cl2 N3 O3
SMILES:OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
定義日:2019-07-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
KXH
KXH
表記:ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
組成式:C16 H19 Cl2 N3 O2
SMILES:CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
InChi:InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3
定義日:2019-07-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
14T
14T
表記:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside
組成式:C14 H15 F4 N O6
SMILES:FC(F)C(=O)NC2C(O)C(O)C(OC2Oc1cc(F)c(F)cc1)CO
InChi:InChI=1S/C14H15F4NO6/c15-6-2-1-5(3-7(6)16)24-14-9(19-13(23)12(17)18)11(22)10(21)8(4-20)25-14/h1-3,8-12,14,20-22H,4H2,(H,19,23)/t8-,9-,10-,11-,14-/m1/s1
別名:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside
定義日:2009-12-08
最終更新日:2020-07-17
識別子（ID）:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside
KYK
KYK
表記:N6-benzyl-(alpha,beta)-methylene-ADP
組成式:C18 H23 N5 O9 P2
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23
InChi:InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
定義日:2019-07-05
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
KYW
KYW
表記:(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP
組成式:C19 H24 Cl N5 O9 P2
SMILES:CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O
InChi:InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
定義日:2019-07-05
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
16F
16F
表記:N-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H19 N3 O6 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2cccc(O)c2
InChi:InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-2-1-3-8(19)4-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-04-30
最終更新日:2020-07-17
識別子（ID）:N-{[(2Z)-2-(3-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
16G
16G
表記:2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
組成式:C8 H16 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
別名:N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE
定義日:2000-09-13
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
16O
16O
表記:N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 Br N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Br)cc2
InChi:InChI=1S/C14H18BrN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:4-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-05-03
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(4-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
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
GU1
GU1
表記:2,3-di-O-methyl-beta-D-glucopyranuronic acid
組成式:C8 H14 O7
SMILES:O=C(O)C1OC(O)C(OC)C(OC)C1O
InChi:InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5-,6+,8+/m0/s1
別名:2,3-di-O-methyl-beta-D-glucuronic acid
定義日:2004-06-22
最終更新日:2020-07-17
識別子（ID）:2,3-di-O-methyl-beta-D-glucopyranuronic acid
GU2
GU2
表記:2,3-di-O-methyl-alpha-L-idopyranuronic acid
組成式:C8 H14 O7
SMILES:O=C(O)C1OC(O)C(OC)C(OC)C1O
InChi:InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1
別名:2,3-di-O-methyl-alpha-L-iduronic acid
定義日:2004-06-22
最終更新日:2020-07-17
識別子（ID）:2,3-di-O-methyl-alpha-L-idopyranuronic acid
GU3
GU3
表記:methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside
組成式:C8 H16 O12 S2
SMILES:O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OC)C1O
InChi:InChI=1S/C8H16O12S2/c1-16-6-5(9)4(3-18-21(10,11)12)19-8(17-2)7(6)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1
別名:methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside
定義日:2004-06-22
最終更新日:2020-07-17
識別子（ID）:methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside

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