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8X3
8X3
表記:2-hydroxyethylsulfonic acid
組成式:C2 H6 O4 S
SMILES:OCC[S](O)(=O)=O
InChi:InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
別名:2-oxidanylethanesulfonic acid
定義日:2017-10-30
最終更新日:2021-03-01
公開日:2019-02-13
識別子（ID）:2-oxidanylethanesulfonic acid
SKK
SKK
表記:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
組成式:C19 H25 N7 O2
SMILES:N#CC3N(C(=O)CNC(C)(C)CNC(=O)c1cn2nc(cc2nc1)C)CCC3
InChi:InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
別名:Anagliptin
定義日:2014-02-07
最終更新日:2021-03-01
公開日:2015-07-15
識別子（ID）:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SKM
SKM
表記:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID
組成式:C7 H10 O5
SMILES:O=C(O)C1=CC(O)C(O)C(O)C1
InChi:InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
別名:SHIKIMATE
定義日:2004-08-16
最終更新日:2021-03-01
識別子（ID）:(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
SL0
SL0
表記:5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside
組成式:C25 H24 O12
SMILES:O=C2C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4
InChi:InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
別名:SL 0101-1
定義日:2011-11-16
最終更新日:2021-03-01
公開日:2012-08-31
識別子（ID）:5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside
SN6
SN6
表記:1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM
組成式:C29 H27 N5 O
SMILES:O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C
InChi:InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
別名:SN6999
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
SN7
SN7
表記:4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
組成式:C29 H29 N7 O
SMILES:O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C
InChi:InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2
別名:SN7167
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium
SNI
SNI
表記:9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
組成式:C10 H12 N4 O4 Se
SMILES:[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO
InChi:InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
別名:SELENOINOSINE
定義日:2004-02-25
最終更新日:2021-03-01
識別子（ID）:9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone
SNO
SNO
表記:(S)-PARA-NITROSTYRENE OXIDE
組成式:C8 H7 N O3
SMILES:[O-][N+](=O)c1ccc(cc1)C2OC2
InChi:InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1
別名:(2S)-2-(4-NITROPHENYL)OXIRANE
定義日:2005-05-20
最終更新日:2021-03-01
識別子（ID）:(2S)-2-(4-nitrophenyl)oxirane
SNP
SNP
表記:1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL
組成式:C16 H21 N O2
SMILES:OC(CNC(C)C)COc2cccc1ccccc12
InChi:InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
別名:S-PROPRANOLOL
定義日:2000-01-26
最終更新日:2021-03-01
識別子（ID）:(2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol
917
917
表記:N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
組成式:C15 H15 N3 O3 S
SMILES:c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O
InChi:InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1
別名:Llinezolid-114
定義日:2017-03-24
最終更新日:2021-03-01
公開日:2017-09-20
識別子（ID）:N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
91P
91P
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
組成式:C20 H30 N8 O18 P3
SMILES:C(OP(OP(OP(OCC1C(O)C(C(O1)[n+]2cn(C)c3c2N=C(NC3=O)N)O)(O)=O)(O)=O)(O)=O)C4C(C(C(O4)N5C=CC(=NC5=O)N)O)O
InChi:InChI=1S/C20H29N8O18P3/c1-26-6-28(15-10(26)16(33)25-19(22)24-15)18-14(32)12(30)8(44-18)5-42-48(37,38)46-49(39,40)45-47(35,36)41-4-7-11(29)13(31)17(43-7)27-3-2-9(21)23-20(27)34/h2-3,6-8,11-14,17-18,29-32H,4-5H2,1H3,(H7-,21,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
別名:dinucleotide triphosphate cap analog m7GpppC
定義日:2017-03-27
最終更新日:2021-03-01
公開日:2017-04-19
識別子（ID）:2-amino-9-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium (non-preferred name)
923
923
表記:(5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one
組成式:C27 H28 O7
SMILES:O=C3O/C(C(O)=C3c2cc1c(OC(C(O)(C)C)C1)cc2)=Cc5ccc4OC(C(O)(C)C)Cc4c5
InChi:InChI=1S/C27H28O7/c1-26(2,30)21-12-16-9-14(5-7-18(16)32-21)10-20-24(28)23(25(29)34-20)15-6-8-19-17(11-15)13-22(33-19)27(3,4)31/h5-11,21-22,28,30-31H,12-13H2,1-4H3/b20-10-/t21-,22-/m1/s1
別名:Aspulvinone J-CR
定義日:2011-04-28
最終更新日:2021-03-01
識別子（ID）:(5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one
SQD
SQD
表記:1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
組成式:C41 H78 O12 S
SMILES:O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O
InChi:InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1
別名:SULFOQUINOVOSYLDIACYLGLYCEROL
定義日:2003-11-03
最終更新日:2021-03-01
識別子（ID）:(2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
SQL
SQL
表記:(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
組成式:C30 H50
SMILES:C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C
InChi:InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
別名:squalene
定義日:2012-06-07
最終更新日:2021-03-01
公開日:2013-05-15
識別子（ID）:(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SRO
SRO
表記:SEROTONIN
組成式:C10 H12 N2 O
SMILES:Oc1cc2c(cc1)ncc2CCN
InChi:InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
別名:3-(2-AMINOETHYL)-1H-INDOL-5-OL
定義日:2007-07-11
最終更新日:2021-03-01
識別子（ID）:3-(2-aminoethyl)-1H-indol-5-ol
SS1
SS1
表記:1-PHENYLETHANOL
組成式:C8 H10 O
SMILES:OC(c1ccccc1)C
InChi:InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
別名:(1S)-1-PHENYL-ETHANOL
定義日:2003-09-30
最終更新日:2021-03-01
識別子（ID）:(1S)-1-phenylethanol
SSO
SSO
表記:1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
組成式:C9 H18 O9 S2
SMILES:[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1
別名:SALACINOL
定義日:2004-06-22
最終更新日:2021-03-01
識別子（ID）:({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)
SSS
SSS
表記:N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
組成式:C13 H19 N4 O12 P
SMILES:O=C(O)CC(C(=O)O)NC(=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9-,12+/m0/s1
別名:N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
定義日:2006-05-24
最終更新日:2021-03-01
識別子（ID）:N-{[5-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid
CD4
CD4
表記:(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
組成式:C65 H126 O17 P2
SMILES:O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChi:InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1
別名:tetramyristoyl-cardiolipin
定義日:2009-02-11
最終更新日:2021-03-01
識別子（ID）:(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name)
CD7
CD7
表記:(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
組成式:C12 H19 N5 O7 S
SMILES:O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O
InChi:InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1
別名:open form - WCK 5153
定義日:2017-09-20
最終更新日:2021-03-01
公開日:2018-08-01
識別子（ID）:(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
SU9
SU9
表記:(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
組成式:C13 H11 N3 O2
SMILES:O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
別名:SU9516
定義日:2003-05-27
最終更新日:2021-03-01
識別子（ID）:(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one
SUA
SUA
表記:(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
組成式:C13 H14 N2 O3 S3
SMILES:O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
別名:Carbonic Anhydrase II inhibitor 16923
定義日:2002-06-06
最終更新日:2021-03-01
識別子（ID）:O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate
CEI
CEI
表記:N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
組成式:C25 H21 N3 O3
SMILES:O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4
InChi:InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
別名:COELENTERAMIDE
定義日:2004-01-26
最終更新日:2021-03-01
識別子（ID）:N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CFB
CFB
表記:2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
組成式:C10 H11 Cl F N5 O3
SMILES:Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
InChi:InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
別名:CLOFARABINE
定義日:2005-07-14
最終更新日:2021-03-01
識別子（ID）:2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine
CFE
CFE
表記:(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
組成式:C11 H16 N4 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
InChi:InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
別名:Coformycin
定義日:2010-01-26
最終更新日:2021-03-01
識別子（ID）:(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

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件を2024-09-04に公開中

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