(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539)

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CHEBI:63539 - (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA

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ChEBI ID	CHEBI:63539
ChEBI Name	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA
Stars
ASCII Name	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-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 (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid. It is a member of n-3 PUFA and by-product of α-linolenic acid metabolism.
Secondary ChEBI ID	CHEBI:140756
Last Modified	12 August 2021
Submitter	Michael Witting, Phani
Downloads	Molfile

Formula	C41H64N7O17P3S
Net Charge	0
Average Mass	1051.984
Monoisotopic Mass	1051.32922
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
InChIKey	JWZLRYCDDXHXDL-LCMHIRPZSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539) is a timnodonoyl bioconjugate (CHEBI:76189)
	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539) is a unsaturated fatty acyl-CoA (CHEBI:51006)
	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539) is conjugate acid of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862)
Incoming Relation(s)
Incoming Relation(s)	(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862) is conjugate base of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}

Synonyms	Source
5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl-CoA	LIPID MAPS
CoA(20:5(5Z,8Z,11Z,14Z,17Z))	LIPID MAPS
all-cis-5,8,11,14,17-icosapentaenoyl-CoA	ChEBI
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA	ChEBI
all-cis-5,8,11,14,17-eicosapentaenoyl-CoA	ChEBI
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA	ChEBI

Manual Xrefs	Databases
LMFA07050122	LIPID MAPS
C16165	KEGG COMPOUND
HMDB0060311	HMDB
FDB023953	FooDB
26606353	ChemSpider
HMDB0006514	HMDB