CHEBI:64039 - (2S)-pristanoyl-CoA

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ChEBI Name (2S)-pristanoyl-CoA
ChEBI ID CHEBI:64039
ChEBI ASCII Name (2S)-pristanoyl-CoA
Definition Pristanoyl-CoA in which C-2 of the pristanoyl group has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H72N7O17P3S
Net Charge 0
Average Mass 1048.02300
Monoisotopic Mass 1047.39183
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+/m0/s1
InChIKey XYJPSQPVCBNZHT-DHBXAFLLSA-N
SMILES CC(C)CCCC(C)CCCC(C)CCC[C@H](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
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).
(via pristanoyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S)-pristanoyl-CoA (CHEBI:64039) is a pristanoyl-CoA (CHEBI:51341)
(2S)-pristanoyl-CoA (CHEBI:64039) is conjugate acid of (2S)-pristanoyl-CoA(4−) (CHEBI:77099)
Incoming (2S)-pristanoyl-CoA(4−) (CHEBI:77099) is conjugate base of (2S)-pristanoyl-CoA (CHEBI:64039)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2S)-2,6,10,14-tetramethylpentadecanoylsulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
(2S)-2,6,10,14-tetramethylpentadecanoyl-CoA ChEBI
(2S)-2,6,10,14-tetramethylpentadecanoyl-coenzyme A ChEBI
(2S)-pristanoyl-coenzyme A ChEBI
Last Modified
04 February 2014