CHEBI:57291 - 3-oxopristanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxopristanoyl-CoA(4−)
ChEBI ID CHEBI:57291
ChEBI ASCII Name 3-oxopristanoyl-CoA(4-)
Definition A multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopristanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H66N7O18P3S
Net Charge -4
Average Mass 1057.97400
Monoisotopic Mass 1057.34198
InChI InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/p-4/t25?,26?,27?,29-,32-,33-,34+,38-/m1/s1
InChIKey NQFYRDGBRBDQQG-SVFBWJQPSA-J
SMILES CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxopristanoyl-CoA(4−) (CHEBI:57291) has role human metabolite (CHEBI:77746)
3-oxopristanoyl-CoA(4−) (CHEBI:57291) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
3-oxopristanoyl-CoA(4−) (CHEBI:57291) is conjugate base of 3-oxopristanoyl-CoA (CHEBI:15371)
Incoming 3-oxopristanoyl-CoA (CHEBI:15371) is conjugate acid of 3-oxopristanoyl-CoA(4−) (CHEBI:57291)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2,6,10,14-tetramethyl-3-oxopentadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonym Source
3-oxopristanoyl-CoA UniProt
Last Modified
20 July 2015