(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540)

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CHEBI:63540 - (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA

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ChEBI ID	CHEBI:63540
ChEBI Name	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
Stars
ASCII Name	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
Definition	An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid. It is a member of n-3 PUFA and a product of α-linolenoic acid metabolism.
Last Modified	27 January 2016
Submitter	Phani
Downloads	Molfile

Formula	C45H70N7O17P3S
Net Charge	0
Average Mass	1106.076
Monoisotopic Mass	1105.37617
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1
InChIKey	KRIFZIRXAAITHR-KWFBMMABSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Role:	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) has functional parent (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid (CHEBI:77366)
	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) has role mouse metabolite (CHEBI:75771)
	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) is a unsaturated fatty acyl-CoA (CHEBI:51006)
	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) is a very long-chain fatty acyl-CoA (CHEBI:61910)
	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) is conjugate acid of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086)
Incoming Relation(s)
Incoming Relation(s)	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086) is conjugate base of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}

Synonyms	Source
24:6(n-3)	SUBMITTER
6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl-CoA	LIPID MAPS
6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoyl-CoA	KEGG COMPOUND
CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z))	LIPID MAPS
all-cis-6,9,12,15,18,21-tetracosahexaenoyl-CoA	ChEBI
tetracosahexaenoyl-CoA	SUBMITTER

Manual Xrefs	Databases
C16168	KEGG COMPOUND
LMFA07050051	LIPID MAPS