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CHEBI:167613 - 3-methylpentanoyl-CoA(4−)

ChEBI IDCHEBI:167613
ChEBI Name3-methylpentanoyl-CoA(4−)
Stars
ASCII Name3-methylpentanoyl-CoA(4-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC27H42N7O17P3S
Net Charge-4
Average Mass861.654
Monoisotopic Mass861.15927
SMILESCCC(C)CC(=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]1OP(=O)([O-])[O-]
InChIInChI=1S/C27H46N7O17P3S/c1-5-15(2)10-18(36)55-9-8-29-17(35)6-7-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t15?,16-,20-,21-,22+,26-/m1/s1
InChIKeyMJSAQAWCQFOQKK-SNIDVWGTSA-J
ChEBI Ontology
Outgoing Relation(s)
3-methylpentanoyl-CoA(4−) (CHEBI:167613) is a fatty acyl-CoA(4−) (CHEBI:77636)
3-methylpentanoyl-CoA(4−) (CHEBI:167613) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
UniProt Name  Source
3-methylpentanoyl-CoAUniProt
Citations