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CHEBI:233881 - 3'-dephospho-acetyl-CoA

ChEBI IDCHEBI:233881
ChEBI Name3'-dephospho-acetyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H37N7O14P2S
Net Charge0
Average Mass729.599
Monoisotopic Mass729.15944
SMILESCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H37N7O14P2S/c1-12(31)47-7-6-25-14(32)4-5-26-21(36)18(35)23(2,3)9-42-46(39,40)44-45(37,38)41-8-13-16(33)17(34)22(43-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-35H,4-9H2,1-3H3,(H,25,32)(H,26,36)(H,37,38)(H,39,40)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyXEFUABMMGJVHSD-ZSJPKINUSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3'-dephospho-acetyl-CoA (CHEBI:233881) is a purine ribonucleoside diphosphate (CHEBI:26396)
IUPAC Name 
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate