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UGF
UGF
表記:(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid
組成式:C15 H21 F N2 O17 P2
SMILES:O[CH]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
InChi:InChI=1S/C15H21FN2O17P2/c16-6-8(21)10(23)14(33-11(6)13(24)25)34-37(29,30)35-36(27,28)31-3-4-7(20)9(22)12(32-4)18-2-1-5(19)17-15(18)26/h1-2,4,6-12,14,20-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,17,19,26)/t4-,6+,7-,8+,9-,10-,11+,12-,14-/m1/s1
別名:UDP-4-Deoxy-4-Fluoro-Glucuronic acid
定義日:2020-06-01
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid
V1D
V1D
表記:N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
組成式:C24 H30 F N5 O4
SMILES:Fc1ccccc1c2cnc(n2)C(NC(C3CN(C)C3)=O)CCCCCC(c4ccon4)(O)O
InChi:InChI=1S/C24H30FN5O4/c1-30-14-16(15-30)23(31)28-19(9-3-2-6-11-24(32,33)21-10-12-34-29-21)22-26-13-20(27-22)17-7-4-5-8-18(17)25/h4-5,7-8,10,12-13,16,19,32-33H,2-3,6,9,11,14-15H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1
定義日:2020-06-12
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
MKB
MKB
表記:6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one
組成式:C20 H18 N4 O5 S
SMILES:O=C1Nc2ccc(cc2O1)[S](=O)(=O)N3CCN(CC3)C(=O)c4ccc5[nH]ccc5c4
InChi:InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26)
定義日:2019-10-16
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one
DKR
DKR
表記:N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
組成式:C13 H14 N2 O
SMILES:Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
InChi:InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
定義日:2019-08-08
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide
P5Y
P5Y
表記:N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
組成式:C25 H21 F3 N6 O3
SMILES:c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4
InChi:InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)
定義日:2019-07-31
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
P6D
P6D
表記:2'-azidocytidine
組成式:C9 H13 N6 O4
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-]
InChi:InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1
定義日:2019-07-31
最終更新日:2020-07-24
公開日:2020-07-29
D9F
D9F
表記:(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
組成式:C24 H34 O5
SMILES:C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1
InChi:InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1
定義日:2019-07-24
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
D9L
D9L
表記:4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
組成式:C8 H13 N O4 S
SMILES:CC(=O)NCCSC(=O)CCC(O)=O
InChi:InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
定義日:2019-07-24
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
D9O
D9O
表記:4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
組成式:C28 H38 O8
SMILES:C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O
InChi:InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1
定義日:2019-07-24
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
EAY
EAY
表記:(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
組成式:C7 H7 N O4
SMILES:[N@H]=C1C(C(O)=O)=CC=COC1O
InChi:InChI=1S/C7H7NO4/c8-5-4(6(9)10)2-1-3-12-7(5)11/h1-3,7-8,11H,(H,9,10)/b8-5+/t7-/m1/s1
定義日:2017-12-18
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
F2X
F2X
表記:(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
組成式:C11 H10 O3
SMILES:C[CH]1CC(=O)c2c(O)cccc2C1=O
InChi:InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1
定義日:2020-03-18
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
O1B
O1B
表記:(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
組成式:C7 H17 N2 O8 P
SMILES:NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
InChi:InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1
定義日:2020-01-20
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:[(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate
QV4
QV4
表記:4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
組成式:C31 H53 N O23
SMILES:O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
定義日:2007-09-04
最終更新日:2020-07-23
識別子（ID）:4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
LAG
LAG
表記:MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME
組成式:C18 H32 N2 O15
SMILES:O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
別名:MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
定義日:2004-08-05
最終更新日:2020-07-23
識別子（ID）:(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
P8E
P8E
表記:5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
組成式:C9 H18 N2 O6
SMILES:CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
InChi:InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1
定義日:2020-06-01
最終更新日:2020-07-21
公開日:2020-07-08
識別子（ID）:5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
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
Z6H
Z6H
表記:alpha-L-altropyranose
組成式:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
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+/m0/s1
別名:alpha-L-altrose
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2019-05-15
識別子（ID）:alpha-L-altropyranose
Z9D
Z9D
表記:4-deoxy-beta-D-xylo-hexopyranose
組成式:C6 H12 O5
SMILES:OC1CC(OC(O)C1O)CO
InChi:InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6+/m0/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）:4-deoxy-beta-D-xylo-hexopyranose
Z9E
Z9E
表記:1-thio-alpha-D-glucopyranose
組成式:C6 H12 O5 S
SMILES:OC1C(O)C(OC(S)C1O)CO
InChi:InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m1/s1
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:1-thio-alpha-D-glucopyranose
Z9H
Z9H
表記:3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
組成式:C8 H16 O12 S2
SMILES:O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC
InChi:InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)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
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
Z9K
Z9K
表記:3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
組成式:C7 H12 O10 S
SMILES:O=C(O)C1OC(O)C(OS(=O)(=O)O)C(OC)C1O
InChi:InChI=1S/C7H12O10S/c1-15-3-2(8)4(6(9)10)16-7(11)5(3)17-18(12,13)14/h2-5,7-8,11H,1H3,(H,9,10)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
Z9L
Z9L
表記:methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
組成式:C7 H14 O15 S3
SMILES:O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1O
InChi:InChI=1S/C7H14O15S3/c1-18-7-6(22-25(15,16)17)5(21-24(12,13)14)4(8)3(20-7)2-19-23(9,10)11/h3-8H,2H2,1H3,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t3-,4-,5+,6-,7+/m1/s1
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
Z9M
Z9M
表記:2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose
組成式:C6 H14 N O8 P
SMILES:O=P(O)(O)OC1C(OC(O)C(N)C1O)CO
InChi:InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
別名:4-O-phosphono-beta-D-glucosamine
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2015-06-24
識別子（ID）:2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose
Z9W
Z9W
表記:2-acetamido-2-deoxy-beta-D-quinovopyranose
組成式:C8 H15 N O5
SMILES:O=C(NC1C(O)C(O)C(OC1O)C)C
InChi:InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8-/m1/s1
別名:2-acetamido-2,6-deoxy-beta-D-glucopyranose
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose
2DG
2DG
表記:2-deoxy-alpha-D-galactopyranose
組成式:C6 H12 O5
SMILES:OC1C(OC(O)CC1O)CO
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-lyxo-hexopyranose
定義日:2001-10-02
最終更新日:2020-07-17
識別子（ID）:2-deoxy-alpha-D-lyxo-hexopyranose

224572

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