CHEBI:57391 - phytanoyl-CoA(4−)

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ChEBI Name phytanoyl-CoA(4−)
ChEBI ID CHEBI:57391
ChEBI ASCII Name phytanoyl-CoA(4-)
Definition A multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate functions of phytanoyl-CoA .
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H70N7O17P3S
Net Charge -4
Average Mass 1058.01700
Monoisotopic Mass 1057.37837
InChI InChI=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
InChIKey NRJQGHHZMSOUEN-ZJGVPSKGSA-J
SMILES CC(C)CCCC(C)CCCC(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]([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 phytanoyl-CoA(4−) (CHEBI:57391) has role human metabolite (CHEBI:77746)
phytanoyl-CoA(4−) (CHEBI:57391) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
phytanoyl-CoA(4−) (CHEBI:57391) is a 3-methyl fatty acyl-CoA(4−) (CHEBI:83968)
phytanoyl-CoA(4−) (CHEBI:57391) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
phytanoyl-CoA(4−) (CHEBI:57391) is conjugate base of phytanoyl-CoA (CHEBI:15538)
Incoming phytanoyl-CoA (CHEBI:15538) is conjugate acid of phytanoyl-CoA(4−) (CHEBI:57391)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonym Source
phytanoyl-CoA UniProt
Last Modified
23 August 2017