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CHEBI:231750 - 2-Methylthio-ATP

Default Structure
ChEBI IDCHEBI:231750
ChEBI Name2-Methylthio-ATP
Stars
Submitterruixy
DownloadsMolfile
FormulaC11H14N5O13P3S.4Na
Net Charge0
Average Mass641.204
Monoisotopic Mass640.91124
SMILES[H][C@]1(O)[C@@]([H])(O)[C@]([H])(n2cnc3c(N)nc(SC)nc32)O[C@]1([H])COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C11H18N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKeyUEEFBRHXFDJPTA-KWIZKVQNSA-J
ChEBI Ontology
Outgoing Relation(s)
2-Methylthio-ATP (CHEBI:231750) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2MeSATPSUBMITTER
2-Methylthioadenosine-5'-triphosphatetetrasodiumsaltSUBMITTER
2-(Methylthio)adenosine 5'-triphosphate tetrasodium saltSUBMITTER
tetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphateSUBMITTER
Registry NumbersSources
CAS:100020-57-3SUBMITTER