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THW
THW
表記:C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE
組成式:C19 H24 N4 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc2sc([C-](O)c1ccccc1)[n+](c2C)Cc3cnc(nc3N)C
InChi:InChI=1S/C19H24N4O8P2S/c1-12-16(8-9-30-33(28,29)31-32(25,26)27)34-19(17(24)14-6-4-3-5-7-14)23(12)11-15-10-21-13(2)22-18(15)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,28,29)(H2,20,21,22)(H2,25,26,27)
定義日:2004-11-30
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)-4-methyl-1,3-thiazol-3-ium-2-yl}(hydroxy)phenylmethanide
STH
STH
表記:2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
組成式:C8 H9 N O2 S
SMILES:O2c1ccccc1C(O)SC2N
InChi:InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
定義日:2004-11-03
最終更新日:2011-06-04
識別子（ID）:(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol
STS
STS
表記:2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
組成式:C15 H16 N3 S
SMILES:SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3
InChi:InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1
定義日:2005-01-12
最終更新日:2011-06-04
識別子（ID）:2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium
BIY
BIY
表記:(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
組成式:C8 H11 N O4 S
SMILES:O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1
InChi:InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
定義日:2009-06-04
最終更新日:2011-06-04
識別子（ID）:(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
T04
T04
表記:2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
組成式:C23 H20 F N3 O6 S2
SMILES:OC(=O)CC[CH](NC(=O)c1cc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)ccc1F)C(O)=O
InChi:InChI=1S/C23H20FN3O6S2/c24-16-6-3-13(9-15(16)20(30)26-17(22(32)33)7-8-19(28)29)11-25-14-4-1-12(2-5-14)10-18-21(31)27-23(34)35-18/h1-6,9-10,17,25H,7-8,11H2,(H,26,30)(H,28,29)(H,32,33)(H,27,31,34)/b18-10-/t17-/m1/s1
定義日:2011-01-20
最終更新日:2011-06-04
識別子（ID）:2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
T1N
T1N
表記:(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
組成式:C14 H14 O2 S
SMILES:O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C
InChi:InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
定義日:2010-07-07
最終更新日:2011-06-04
識別子（ID）:(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
TL5
TL5
表記:(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE
組成式:C12 H16 O2 S
SMILES:O=C1SC(/C=C(/C=C/C)C)(C(O)=C1C)C
InChi:InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,13H,1-4H3/b6-5+,8-7+/t12-/m1/s1
定義日:2005-08-29
最終更新日:2011-06-04
識別子（ID）:(5R)-4-hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dien-1-yl]thiophen-2(5H)-one
TMZ
TMZ
表記:3,4,5-TRIMETHYL-1,3-THIAZOLE
組成式:C6 H10 N S
SMILES:s1c(c([n+](c1)C)C)C
InChi:InChI=1S/C6H10NS/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3,4,5-trimethyl-1,3-thiazol-3-ium
B48
B48
表記:4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
組成式:C12 H11 N3 S3
SMILES:s1cccc1c2nc(c(s2)c3cc(SC)nn3)C
InChi:InChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15)
定義日:2009-02-11
最終更新日:2011-06-04
識別子（ID）:4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
TNB
TNB
表記:S-(2,3,6-TRINITROPHENYL)CYSTEINE
組成式:C9 H8 N4 O8 S
SMILES:[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O
InChi:InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:S-(2,4,6-trinitrophenyl)-L-cysteine
TPP
TPP
表記:THIAMINE DIPHOSPHATE
組成式:C12 H19 N4 O7 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
定義日:1999-07-08
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)-4-methyl-1,3-thiazol-3-ium
TPS
TPS
表記:THIAMIN PHOSPHATE
組成式:C12 H18 N4 O4 P S
SMILES:O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
BLZ
BLZ
表記:5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE
組成式:C22 H20 Cl N3 O4 S
SMILES:Clc1ccccc1C(Oc4c(sc(n3cnc2cc(OC)c(OC)cc23)c4)C(=O)N)C
InChi:InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1
定義日:2006-08-23
最終更新日:2011-06-04
識別子（ID）:3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-benzimidazol-1-yl)thiophene-2-carboxamide
HBT
HBT
表記:(6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
組成式:C17 H17 N3 O4 S
SMILES:[O-][N+](=O)c1ccccc1C(=O)Nc2sc3c(c2C(=O)N)CCC(C3)C
InChi:InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)/t9-/m0/s1
定義日:2009-06-02
最終更新日:2011-06-04
識別子（ID）:(6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
BYG
BYG
表記:L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine
組成式:C22 H32 N6 O10 S2
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1(SCCCCCCO)c2nonc2C(=CC1)[N+]([O-])=O
InChi:InChI=1S/C22H32N6O10S2/c23-13(21(34)35)5-6-16(30)25-14(20(33)24-11-17(31)32)12-40-22(39-10-4-2-1-3-9-29)8-7-15(28(36)37)18-19(22)27-38-26-18/h7,13-14,29H,1-6,8-12,23H2,(H,24,33)(H,25,30)(H,31,32)(H,34,35)/t13-,14-,22+/m0/s1
定義日:2009-04-08
最終更新日:2011-06-04
識別子（ID）:L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine
BYM
BYM
表記:(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
組成式:C11 H5 F2 N O4 S
SMILES:O=C1C(SC(=O)N1)=Cc3ccc2OC(F)(F)Oc2c3
InChi:InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
定義日:2005-07-05
最終更新日:2011-06-04
識別子（ID）:(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
C0M
C0M
表記:N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
組成式:C27 H28 N4 O2 S
SMILES:O=C(N4CCc1c(sc(c1C#N)NC(=O)c3c2ccccc2ccc3)C4)CCN5CCCCC5
InChi:InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
定義日:2006-12-04
最終更新日:2011-06-04
識別子（ID）:N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide
C1T
C1T
表記:S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-L-cysteine
組成式:C10 H13 N O6 S
SMILES:CC1=C(O)C(=O)[CH](SC[CH](N)C(O)=O)[CH](O)C1=O
InChi:InChI=1S/C10H13NO6S/c1-3-5(12)7(14)9(8(15)6(3)13)18-2-4(11)10(16)17/h4,7,9,13-14H,2,11H2,1H3,(H,16,17)/t4-,7+,9-/m0/s1
定義日:2009-12-07
最終更新日:2011-06-04
識別子（ID）:(2R)-2-azanyl-3-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxo-cyclohex-3-en-1-yl]sulfanyl-propanoic acid
C3Y
C3Y
表記:S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE
組成式:C5 H12 N2 O4 S
SMILES:O=C(O)C(N)CSC(O)(NO)C
InChi:InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1
定義日:2007-04-02
最終更新日:2011-06-04
識別子（ID）:S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine
C53
C53
表記:2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
組成式:C9 H7 N3 O S
SMILES:O=C1C(/SC(=[N@H])N1)=Cc2ncccc2
InChi:InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
定義日:2007-05-14
最終更新日:2011-06-04
識別子（ID）:(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
C62
C62
表記:4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
組成式:C14 H10 N2 O5 S2
SMILES:O=C1C(SC(=O)N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3
InChi:InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
定義日:2007-04-30
最終更新日:2011-06-04
識別子（ID）:4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
C75
C75
表記:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE
組成式:C15 H13 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)NC)cc3
InChi:InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-
定義日:2007-04-27
最終更新日:2011-06-04
識別子（ID）:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzenesulfonamide
C85
C85
表記:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
組成式:C14 H11 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3
InChi:InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-
定義日:2007-04-27
最終更新日:2011-06-04
識別子（ID）:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide
C94
C94
表記:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
組成式:C15 H10 F3 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(c(c2)C(F)(F)F)S(=O)(=O)N)cc3
InChi:InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
定義日:2007-04-30
最終更新日:2011-06-04
識別子（ID）:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
C95
C95
表記:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
組成式:C15 H10 N2 O4 S
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(C(=O)O)cc2)cc3
InChi:InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7-
定義日:2007-04-27
最終更新日:2011-06-04
識別子（ID）:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

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