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CHEBI:760725 - (7R,11R)-phytanoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:760725
ChEBI Name(7R,11R)-phytanoyl-CoA(4−)
Stars
DefinitionA multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate functions of (7R,11R)-phytanoyl-CoA; major species at pH 7.3.
Last Modified12 August 2026
Submitternhn
DownloadsMolfile
FormulaC41H70N7O17P3S
Net Charge-4
Average Mass1058.032
Monoisotopic Mass1057.37837
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(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/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t27-,28-,29?,30-,34-,35-,36+,40-/m1/s1
InChIKeyNRJQGHHZMSOUEN-HHVNVSIESA-J
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(7R,11R)-phytanoyl-CoA(4−) (CHEBI:760725) is a phytanoyl-CoA(4−) (CHEBI:57391)
Synonym  Source
(7R,11R)-3,7,11,15-tetramethyl-hexadecanoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(7R,11R)-phytanoyl-CoAUniProt
Citations