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CHEBI:81995 - Propylmalonyl-CoA

ChEBI IDCHEBI:81995
ChEBI NamePropylmalonyl-CoA
Stars
DownloadsMolfile
FormulaC27H44N7O19P3S
Net Charge0
Average Mass895.668
Monoisotopic Mass895.16255
SMILESCCCC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C27H44N7O19P3S/c1-4-5-14(25(39)40)26(41)57-9-8-29-16(35)6-7-30-23(38)20(37)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-19(52-54(42,43)44)18(36)24(51-15)34-13-33-17-21(28)31-12-32-22(17)34/h12-15,18-20,24,36-37H,4-11H2,1-3H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14?,15-,18-,19-,20?,24-/m1/s1
InChIKeyKIJUWBPJFSIWKM-PCLZRLGGSA-N
ChEBI Ontology
Outgoing Relation(s)
Propylmalonyl-CoA (CHEBI:81995) is a polyol (CHEBI:26191)
Manual XrefsDatabases
C18834KEGG COMPOUND