pristanoyl-CoA (CHEBI:51341)

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CHEBI:51341 - pristanoyl-CoA

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ChEBI ID	CHEBI:51341
ChEBI Name	pristanoyl-CoA
Stars
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.
Last Modified	31 March 2015
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C40H72N7O17P3S
Net Charge	0
Average Mass	1048.037
Monoisotopic Mass	1047.39182
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Role:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	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	Source
2,6,10,14-tetramethylpentadecanoyl-CoA	ChEBI
2,6,10,14-tetramethylpentadecanoyl-coenzyme A	ChEBI
pristanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
HMDB0002057	HMDB

Citations