(2S,6R,10)-trimethyl-hendecanoyl-CoA (CHEBI:180894)

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CHEBI:180894 - (2S,6R,10)-trimethyl-hendecanoyl-CoA

Default Structure

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ChEBI ID	CHEBI:180894
ChEBI Name	(2S,6R,10)-trimethyl-hendecanoyl-CoA
Stars
Last Modified	12 January 2026
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H62N7O17P3S
Net Charge	0
Average Mass	977.902
Monoisotopic Mass	977.31357
SMILES	CC(C)CCC[C@@H](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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChI	InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t22-,23+,24-,27-,28-,29+,33-/m1/s1
InChIKey	QCNISQOYPUIJJO-KIWPZKLJSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2150)

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	(2S,6R,10)-trimethyl-hendecanoyl-CoA (CHEBI:180894) is a fatty acyl-CoA (CHEBI:37554)

Synonyms	Source
(2S,6R,10R)-trimethyl-hendecanoyl-CoA	FooDB
(2S,6R,10R)-trimethyl-hendecanoyl-coenzyme A	ChEBI
(2S,6R,10)-trimethyl-hendecanoyl-coenzyme A	ChEBI
(2S,6R)-2,6,10-trimethyl-hendecanoyl-coA	ChEBI
(2S,6R)-2,6,10-trimethyl-hendecanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
FDB029081	FooDB
HMDB0012471	HMDB