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MSM
MSM
Name:(METHYLSULFANYL)METHANE
Formula:C2 H6 S
SMILES:sulfanediyldimethane
InChi:InChI=1S/C2H6S/c1-3-2/h1-2H3
Definition date:2004-11-02
Last modified:2011-06-04
Identifier:dimethyl sulfide
MSN
MSN
Name:(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Formula: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
Definition date:2005-12-28
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol
MSP
MSP
Name:5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE
Formula:C15 H25 N7 O7 S2
SMILES:O=C(NS(=O)(=O)OCC3OC(N2C=NC1=C(N)NC=NC12)C(O)C3O)C(N)CCSC
InChi:InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11+,13?,15+/m0/s1
Definition date:2003-05-30
Last modified:2011-06-04
Identifier:5'-O-(L-methionylsulfamoyl)adenosine
MSQ
MSQ
Name:4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Formula: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)
Definition date:1999-12-07
Last modified:2011-06-04
Identifier:6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine
MSR
MSR
Name:4-(1H-IMIDAZOL-1-YL)PHENOL
Formula:C9 H8 N2 O
SMILES:n2ccn(c1ccc(O)cc1)c2
InChi:InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
Definition date:2007-02-06
Last modified:2011-06-04
Identifier:4-(1H-imidazol-1-yl)phenol
MSS
MSS
Name:(MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM
Formula: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
Definition date:2005-03-04
Last modified:2011-06-04
Identifier:oxo(phosphate)molybdenum
MST
MST
Name:2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE
Formula: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)
Definition date:2000-01-17
Last modified:2011-06-04
Identifier:N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
MT0
MT0
Name:1-CHLORO-4-METHYLPHTHALAZINE
Formula:C9 H7 Cl N2
SMILES:Clc2nnc(c1c2cccc1)C
InChi:InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
Definition date:2010-05-07
Last modified:2011-06-04
Identifier:1-chloro-4-methylphthalazine
MT3
MT3
Name:2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one
Formula:C29 H24 F N3 O4
SMILES:Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C3=CN=C(N(C3=O)C)Cc4ccccc4)c5
InChi:InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3
Definition date:2008-09-15
Last modified:2011-06-04
Identifier:2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one
MT4
MT4
Name:5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
Formula:C28 H22 F2 N4 O4
SMILES:Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C4=CN=C(Nc3ccc(F)cc3)N(C4=O)C)c5
InChi:InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
Definition date:2008-09-15
Last modified:2011-06-04
Identifier:5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
MT5
MT5
Name:N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM
Formula:C15 H30 N3 O4
SMILES:OC2C1N(C(/NC1)=[NH+]CCCCCCCC)C(O)C(O)C2O
InChi:InChI=1S/C15H29N3O4/c1-2-3-4-5-6-7-8-16-15-17-9-10-11(19)12(20)13(21)14(22)18(10)15/h10-14,19-22H,2-9H2,1H3,(H,16,17)/p+1/t10-,11-,12+,13-,14-/m1/s1
Definition date:2009-03-23
Last modified:2011-06-04
Identifier:N-[(3E,5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene]octan-1-aminium
BXZ
BXZ
Name:4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
Formula:C13 H8 Br N O4
SMILES:Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O
InChi:InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
Definition date:2007-12-13
Last modified:2011-06-04
Identifier:4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
MTA
MTA
Name:5'-DEOXY-5'-METHYLTHIOADENOSINE
Formula:C11 H15 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
InChi:InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-S-methyl-5'-thioadenosine
MTB
MTB
Name:2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:C17 H18 N2 O3
SMILES:O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C
InChi:InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-[(E)-(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid
MTC
MTC
Name:[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER
Formula:C18 H17 N O4 S3
SMILES:O=C(OC)NC2=C1C(=C/CSSSC)C(C#CC=CC#CC1)(O)CC2=O
InChi:InChI=1S/C18H17NO4S3/c1-23-17(21)19-16-13-8-6-4-3-5-7-10-18(22,12-15(16)20)14(13)9-11-25-26-24-2/h3,5,9,22H,8,11-12H2,1-2H3,(H,19,21)/b5-3-,14-9+/t18-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:methyl {(1R,4Z,13E)-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate
MTD
MTD
Name:[METHYLTELLURO]ACETATE
Formula:C3 H5 O2 Te
SMILES:[O-]C(=O)C[Te]C
InChi:InChI=1S/C3H6O2Te/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
Definition date:2000-03-27
Last modified:2011-06-04
Identifier:(methyltellanyl)acetate
MTE
MTE
Name:PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
Formula:C10 H14 N5 O6 P S2
SMILES:O=P(O)(O)OCC2OC3NC=1N=C(NC(=O)C=1NC3C(S)=C2S)N
InChi:InChI=1S/C10H14N5O6PS2/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/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
MTF
MTF
Name:N-METHYLTHIOFORMAMIDE
Formula:C2 H5 N S
SMILES:S=CNC
InChi:InChI=1S/C2H5NS/c1-3-2-4/h2H,1H3,(H,3,4)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-methylthioformamide
MTG
MTG
Name:[METHYLTHIO]ACETATE
Formula:C3 H5 O2 S
SMILES:[O-]C(=O)CSC
InChi:InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
Definition date:2000-03-27
Last modified:2011-06-04
Identifier:(methylsulfanyl)acetate
BYA
BYA
Name:N-(phenylcarbonyl)-beta-alanine
Formula:C10 H11 N O3
SMILES:O=C(NCCC(=O)O)c1ccccc1
InChi:InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
Definition date:2008-12-11
Last modified:2011-06-04
Identifier:N-(phenylcarbonyl)-beta-alanine
BYC
BYC
Name:benzoyl coenzyme A
Formula:C28 H40 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4
InChi:InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
Definition date:2010-11-17
Last modified:2011-06-04
Identifier:S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} benzenecarbothioate (non-preferred name)
MTJ
MTJ
Name:N,O-DIMETHYL-L-TYROSINE
Formula:C11 H15 N O3
SMILES:O=C(O)C(NC)Cc1ccc(OC)cc1
InChi:InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1
Definition date:2004-04-15
Last modified:2011-06-04
Identifier:N,O-dimethyl-L-tyrosine
MTL
MTL
Name:D-MANNITOL
Formula:C6 H14 O6
SMILES:OC(C(O)CO)C(O)C(O)CO
InChi:InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Definition date:2002-07-10
Last modified:2011-06-04
Identifier:D-mannitol
BYG
BYG
Name:L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine
Formula: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
Definition date:2009-04-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine
BYH
BYH
Name:1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
Formula:C17 H16 N4 S2
SMILES:S=C2N(c1ccccc1N2CCSc4nc3ccccc3n4)C
InChi:InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
Definition date:2010-11-09
Last modified:2011-06-04
Identifier:1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione

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数据于2025-04-23公开中

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