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AAT
AAT
表記:S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE
組成式:C18 H29 N7 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS/C(=C/CN)CCCCCN)N
InChi:InChI=1S/C18H29N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h5,9-10,12,14-15,18,26-27H,1-4,6-8,19-20H2,(H2,21,22,23)/t12-,14-,15-,18-/m1/s1
定義日:2001-08-10
最終更新日:2011-06-04
識別子（ID）:5'-S-[(1E)-6-amino-1-(2-aminoethylidene)hexyl]-5'-thioadenosine
MSN
MSN
表記:(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
組成式:C6 H13 N O3 S
SMILES:OC1C(O)C(N)C(SC)C1O
InChi:InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
定義日:2005-12-28
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol
MSQ
MSQ
表記:4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
組成式:C17 H17 N3 O2 S
SMILES:n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(SC)c3
InChi:InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)
定義日:1999-12-07
最終更新日:2011-06-04
識別子（ID）:6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine
MSS
MSS
表記:(MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM
組成式:C10 H12 Mo N5 O7 P S2
SMILES:O=P(O)(O)OCC2OC3NC=4N=C(N)NC(=O)C=4NC3C=1S[Mo](=O)SC=12
InChi:InChI=1S/C10H14N5O6PS2.Mo.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
定義日:2005-03-04
最終更新日:2011-06-04
識別子（ID）:oxo(phosphate)molybdenum
MST
MST
表記:2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE
組成式:C10 H19 N5 S
SMILES:S(c1nc(nc(n1)NC(C)(C)C)NCC)C
InChi:InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
定義日:2000-01-17
最終更新日:2011-06-04
識別子（ID）:N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
MTZ
MTZ
表記:4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE
組成式:C18 H20 N6 O S
SMILES:N2=C(c1sc(nc1C)N)CC=NC/2=Nc4ccc(N3CCOCC3)cc4
InChi:InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-
定義日:2005-11-01
最終更新日:2011-06-04
識別子（ID）:4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
SC
SC
表記:2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
組成式:C9 H14 N3 O6 P S
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)O
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-thiophosphonocytidine
SDC
SDC
表記:S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE
組成式:C5 H12 N2 O4 S2
SMILES:O=S(=O)(N)CCSCC(N)C(=O)O
InChi:InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1
定義日:2003-10-08
最終更新日:2011-06-04
識別子（ID）:S-(2-sulfamoylethyl)-L-cysteine
0A8
0A8
表記:S-[(2-chloroethyl)carbamoyl]-L-cysteine
組成式:C6 H11 Cl N2 O3 S
SMILES:O=C(O)C(N)CSC(=O)NCCCl
InChi:InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1
定義日:2007-11-09
最終更新日:2011-06-04
識別子（ID）:S-[(2-chloroethyl)carbamoyl]-L-cysteine
0AJ
0AJ
表記:(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
組成式:C5 H12 S2
SMILES:S(C)C(SCC)C
InChi:InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1
定義日:2007-11-11
最終更新日:2011-06-04
識別子（ID）:(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
SLU
SLU
表記:5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE
組成式:C21 H18 N8 O8 S3
SMILES:O=S(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)NC(=O)c4nc(sc4)c5nc6ccc(O)cc6s5
InChi:InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21-/m1/s1
定義日:2005-09-06
最終更新日:2011-06-04
識別子（ID）:5'-O-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)adenosine
NTU
NTU
表記:N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE
組成式:C18 H38 N4 S2
SMILES:N(=C(/SC)N)CCCCCCCCCCCCCC/N=C(SC)N
InChi:InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)
定義日:2001-03-14
最終更新日:2011-06-04
識別子（ID）:dimethyl N',N'''-tetradecane-1,14-diylbis(imidothiocarbamate)
NYS
NYS
表記:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
組成式:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
定義日:2007-10-08
最終更新日:2011-06-04
識別子（ID）:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
2SK
2SK
表記:(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
組成式:C13 H19 N O3 S
SMILES:OC2C(O)C(NCc1ccccc1)C(SC)C2O
InChi:InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
定義日:2006-01-24
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
2T0
2T0
表記:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
組成式:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
定義日:2009-05-11
最終更新日:2011-06-04
識別子（ID）:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
2T4
2T4
表記:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
組成式:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
2TP
2TP
表記:2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE
組成式:C12 H19 N4 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)NO
InChi:InChI=1S/C12H18N4O8P2S/c1-8-11(3-4-23-26(21,22)24-25(18,19)20)27-7-16(8)6-10-5-13-9(2)14-12(10)15-17/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21,22)/p+1
定義日:2005-10-12
最終更新日:2011-06-04
識別子（ID）:3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
8PA
8PA
表記:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
組成式:C20 H26 N5 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)C=Cc3cccnc3
InChi:InChI=1S/C20H25N5O8P2S/c1-13-18(7-9-32-35(30,31)33-34(27,28)29)36-20(17(26)6-5-15-4-3-8-22-10-15)25(13)12-16-11-23-14(2)24-19(16)21/h3-6,8,10-11,17,26H,7,9,12H2,1-2H3,(H4-,21,23,24,27,28,29,30,31)/p+1/b6-5+/t17-/m0/s1
定義日:2008-11-07
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
AG8
AG8
表記:S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
組成式:C19 H37 N O6 P2 S
SMILES:O=P(O)(OP(=O)(O)SC/C=C(/CCC=C(/C)CCC=C(/C)CCCN(C)C)C)O
InChi:InChI=1S/C19H37NO6P2S/c1-17(9-6-11-18(2)13-8-15-20(4)5)10-7-12-19(3)14-16-29-28(24,25)26-27(21,22)23/h10-11,14H,6-9,12-13,15-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b17-10+,18-11+,19-14+
定義日:2010-12-21
最終更新日:2011-06-04
識別子（ID）:S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
D7K
D7K
表記:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
組成式:C20 H28 N4 O11 P3 S
SMILES:O=P(O)(OP(=O)(O)O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(c3ccccc3)P(=O)(OC)O
InChi:InChI=1S/C20H27N4O11P3S/c1-13-17(9-10-34-38(31,32)35-37(28,29)30)39-19(24(13)12-15-11-22-14(2)23-18(15)21)20(25,36(26,27)33-3)16-7-5-4-6-8-16/h4-8,11,25H,9-10,12H2,1-3H3,(H5-,21,22,23,26,27,28,29,30,31,32)/p+1/t20-/m0/s1
定義日:2008-05-22
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
AR2
AR2
表記:ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID
組成式:C14 H17 N5 O3 S
SMILES:O=C(O)c1ccc2nc(sc2c1)C(=O)C(N)CCCNC(=[N@H])N
InChi:InChI=1S/C14H17N5O3S/c15-8(2-1-5-18-14(16)17)11(20)12-19-9-4-3-7(13(21)22)6-10(9)23-12/h3-4,6,8H,1-2,5,15H2,(H,21,22)(H4,16,17,18)/t8-/m0/s1
定義日:2000-01-04
最終更新日:2011-06-04
識別子（ID）:2-(L-arginyl)-1,3-benzothiazole-6-carboxylic acid
ATA
ATA
表記:ATRAZINE GLUTATHIONE CONJUGATE
組成式:C18 H30 N8 O6 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1nc(nc(n1)NC(C)C)NCC
InChi:InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:L-gamma-glutamyl-S-{4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl}-L-cysteinylglycine
TEI
TEI
表記:2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
組成式:C16 H16 N2 O3 S
SMILES:N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O)C
InChi:InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
定義日:2002-11-12
最終更新日:2011-06-04
識別子（ID）:2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
TFL
TFL
表記:2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
組成式:C16 H17 N2 O S
SMILES:Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3
InChi:InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1
定義日:2006-10-19
最終更新日:2011-06-04
識別子（ID）:2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
THV
THV
表記:C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE
組成式:C16 H26 N4 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc([C-](O)C(C)C)[n+](c1C)Cc2cnc(nc2N)C
InChi:InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,21H,5-6,8H2,1-4H3,(H,25,26)(H2,17,18,19)(H2,22,23,24)
定義日:2004-11-30
最終更新日:2011-06-04
識別子（ID）:1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylpropan-1-ide

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