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12U
12U
表記:N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
組成式:C22 H33 N5 O2
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCC2)CCC3
InChi:InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1
別名:(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cycloheptylamino)ethanoyl]pyrrolidine-2-carboxamide
定義日:2008-01-15
最終更新日:2021-03-01
識別子（ID）:N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
RR7
RR7
表記:2-deoxy-beta-D-arabino-hexopyranose
組成式:C6 H12 O5
SMILES:C1(CC(O)C(C(CO)O1)O)O
InChi:InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
別名:2-deoxy-alpha-D-glucopyranose
定義日:2020-02-24
最終更新日:2021-02-23
公開日:2020-07-29
識別子（ID）:2-deoxy-beta-D-arabino-hexopyranose
RRJ
RRJ
表記:4-chloro-4-deoxy-alpha-D-galactopyranose
組成式:C6 H11 Cl O5
SMILES:OC1C(C(C(C(O1)CO)Cl)O)O
InChi:InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
定義日:2020-02-24
最終更新日:2021-02-23
公開日:2020-07-29
識別子（ID）:4-chloro-4-deoxy-alpha-D-galactopyranose
RRY
RRY
表記:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
組成式:C6 H10 Cl2 O4
SMILES:OC1C(O)C(CCl)OC1(CCl)O
InChi:InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1
定義日:2020-02-24
最終更新日:2021-02-23
公開日:2020-07-29
識別子（ID）:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
X2Y
X2Y
表記:2,4-di-O-sulfo-alpha-L-fucopyranose
組成式:C6 H12 O11 S2
SMILES:C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
InChi:InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1
別名:6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
定義日:2020-11-23
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
X34
X34
表記:4-O-sulfo-alpha-L-fucopyranose
組成式:C6 H12 O8 S
SMILES:C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C
InChi:InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1
別名:6-deoxy-4-O-sulfo-alpha-L-galactopyranose
定義日:2020-11-23
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:6-deoxy-4-O-sulfo-alpha-L-galactopyranose
X6Y
X6Y
表記:2-O-sulfo-alpha-L-fucopyranose
組成式:C6 H12 O8 S
SMILES:C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
別名:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
定義日:2020-12-01
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
F8X
F8X
表記:2-amino-2-deoxy-beta-D-altropyranuronic acid
組成式:C6 H11 N O6
SMILES:NC1C(O)C(O)C(C(O)=O)OC1O
InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
定義日:2020-04-16
最終更新日:2020-11-13
公開日:2020-11-18
識別子（ID）:2-amino-2-deoxy-beta-D-altropyranuronic acid
H3U
H3U
表記:8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
組成式:C25 H21 N3 O11 S3
SMILES:Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
定義日:2020-11-02
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid
42D
42D
表記:3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
組成式:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)OC)C(O)C1
InChi:InChI=1S/C11H19NO10/c1-21-10(19)12-6-4(14)2-11(20,9(17)18)22-8(6)7(16)5(15)3-13/h4-8,13-16,20H,2-3H2,1H3,(H,12,19)(H,17,18)/t4-,5+,6+,7+,8+,11+/m0/s1
別名:3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosonic acid
定義日:2009-04-27
最終更新日:2020-10-19
識別子（ID）:3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
TWG
TWG
表記:6-thio-alpha-D-mannopyranose
組成式:C6 H12 O5 S
SMILES:C1(OC(C(C(C1O)O)O)CS)O
InChi:InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
定義日:2020-04-01
最終更新日:2020-08-11
公開日:2020-07-29
識別子（ID）:6-thio-alpha-D-mannopyranose
RV7
RV7
表記:4-amino-4,6-dideoxy-alpha-D-glucopyranose
組成式:C6 H13 N O4
SMILES:C1(OC(C(C(C1O)O)N)C)O
InChi:InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
定義日:2020-02-26
最終更新日:2020-08-11
公開日:2020-07-29
識別子（ID）:4-amino-4,6-dideoxy-alpha-D-glucopyranose
YJM
YJM
表記:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
組成式:C6 H13 N O11 S2
SMILES:C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
別名:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
定義日:2016-08-25
最終更新日:2020-08-11
公開日:2018-02-21
識別子（ID）:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
L1L
L1L
表記:2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
組成式:C6 H14 N O8 P
SMILES:N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
InChi:InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
別名:[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
定義日:2016-02-09
最終更新日:2020-08-11
公開日:2016-08-10
識別子（ID）:[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
GPO
GPO
表記:4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
組成式:C7 H15 O10 P
SMILES:O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
別名:4-O-phosphono-D-glycero-beta-D-manno-heptose
定義日:2008-03-28
最終更新日:2020-08-11
識別子（ID）:4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
6LS
6LS
表記:heptyl 2-deoxy-alpha-D-mannopyranoside
組成式:C13 H26 O5
SMILES:CCCCCCCO[CH]1C[CH](O)[CH](O)[CH](CO)O1
InChi:InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-12-8-10(15)13(16)11(9-14)18-12/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
別名:2-Deoxy-Heptylmannoside
定義日:2016-05-27
最終更新日:2020-07-18
公開日:2017-06-21
識別子（ID）:(2~{R},3~{S},4~{R},6~{S})-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
GYV
GYV
表記:2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose
組成式:C9 H16 N2 O7
SMILES:O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N
InChi:InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1
別名:2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE
定義日:2010-01-26
最終更新日:2020-07-18
識別子（ID）:2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose
5KQ
5KQ
表記:(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
組成式:C13 H22 N2 O9
SMILES:CC(=O)NC1C(OC(CC1O)(O)C(O)=O)C(O)C(CNC(=O)C)O
InChi:InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,9+,10-,11+,13+/m0/s1
別名:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
定義日:2015-10-14
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
5KV
5KV
表記:2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
組成式:C6 H13 N O11 S2
SMILES:OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O
InChi:InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1
別名:6-O-sulfo-N-sulfo-beta-D-glucosamine
定義日:2015-10-15
最終更新日:2020-07-17
公開日:2015-11-18
識別子（ID）:2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
TW7
TW7
表記:2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
組成式:C6 H9 F3 O4
SMILES:C1(F)C(F)(F)C(C(O)C(O1)CO)O
InChi:InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1
定義日:2020-04-01
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
ZGE
ZGE
表記:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
組成式:C12 H19 F N4 O7
SMILES:O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
InChi:InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
別名:(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
定義日:2012-10-31
最終更新日:2020-07-17
公開日:2013-05-01
識別子（ID）:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
TWA
TWA
表記:2,3,4-tri-O-sulfo-beta-D-altropyranose
組成式:C6 H12 O15 S3
SMILES:C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O
InChi:InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1
定義日:2020-04-01
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2,3,4-tri-O-sulfo-beta-D-altropyranose
TWD
TWD
表記:2,3-di-O-sulfo-alpha-L-glucopyranose
組成式:C6 H12 O12 S2
SMILES:C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O
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+/m0/s1
定義日:2020-04-01
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2,3-di-O-sulfo-alpha-L-glucopyranose
5L2
5L2
表記:methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate
組成式:C14 H24 N2 O13 S2
SMILES:C1(C(C(C(C(COC(=O)C)O1)O)O)O)S(=O)(=O)N2CC(OS(=O)(=O)N)CC2C(=O)OC
InChi:InChI=1S/C14H24N2O13S2/c1-6(17)27-5-9-10(18)11(19)12(20)14(28-9)30(22,23)16-4-7(29-31(15,24)25)3-8(16)13(21)26-2/h7-12,14,18-20H,3-5H2,1-2H3,(H2,15,24,25)/t7-,8+,9+,10-,11-,12-,14+/m1/s1
定義日:2015-10-16
最終更新日:2020-07-17
公開日:2015-10-28
識別子（ID）:methyl (2S,4R)-1-({(2S,3R,4R,5S,6S)-6-[(acetyloxy)methyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}sulfonyl)-4-(sulfamoyloxy)py rrolidine-2-carboxylate (non-preferred name)
5L3
5L3
表記:(6R)-5-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(OC(C)=O)C(O)C(C(CO)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N
InChi:InChI=1S/C13H24N2O11S2/c1-7(17)24-12-11(19)10(18)9(6-16)25-13(12)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,16,18-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1
定義日:2015-10-16
最終更新日:2020-07-17
公開日:2015-10-28
識別子（ID）:(6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol

223532

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