CHEBI:51341 - pristanoyl-CoA

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ChEBI Name pristanoyl-CoA
ChEBI ID CHEBI:51341
Definition A multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pristanic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H72N7O17P3S
Net Charge 0
Average Mass 1048.02394
Monoisotopic Mass 1047.392
InChI InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t26?,27?,28?,29-,32-,33-,34+,38-/m1/s1
InChIKey XYJPSQPVCBNZHT-TUKYSRJDSA-N
SMILES CC(C)CCCC(C)CCCC(C)CCCC(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:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
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 pristanoyl-CoA (CHEBI:51341) has functional parent pristanic acid (CHEBI:51340)
pristanoyl-CoA (CHEBI:51341) has role human metabolite (CHEBI:77746)
pristanoyl-CoA (CHEBI:51341) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
pristanoyl-CoA (CHEBI:51341) is a long-chain fatty acyl-CoA (CHEBI:33184)
pristanoyl-CoA (CHEBI:51341) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
pristanoyl-CoA (CHEBI:51341) is conjugate acid of pristanoyl-CoA(4−) (CHEBI:77250)
Incoming 3-hydroxypristanoyl-CoA (CHEBI:63914) has functional parent pristanoyl-CoA (CHEBI:51341)
3-oxopristanoyl-CoA (CHEBI:15371) has functional parent pristanoyl-CoA (CHEBI:51341)
(2R)-pristanoyl-CoA (CHEBI:77550) is a pristanoyl-CoA (CHEBI:51341)
(2S)-pristanoyl-CoA (CHEBI:64039) is a pristanoyl-CoA (CHEBI:51341)
pristanoyl-CoA(4−) (CHEBI:77250) is conjugate base of pristanoyl-CoA (CHEBI:51341)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(2,6,10,14-tetramethylpentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonyms Sources
2,6,10,14-tetramethylpentadecanoyl-CoA ChEBI
2,6,10,14-tetramethylpentadecanoyl-coenzyme A ChEBI
pristanoyl-coenzyme A ChEBI
Database Link Database
HMDB0002057 HMDB
View more database links
Citations Waiting for Citations Types Sources
10709653 PubMed citation Europe PMC
16768463 PubMed citation Europe PMC
17613526 PubMed citation Europe PMC
Last Modified
31 March 2015