(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541)

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CHEBI:63541 - (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA

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ChEBI ID	CHEBI:63541
ChEBI Name	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA
Stars
ASCII Name	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-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 (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is a member of n-3 PUFA and a product of α-linolenic acid metabolism
Last Modified	16 August 2024
Submitter	Phani
Downloads	Molfile

Formula	C43H68N7O17P3S
Net Charge	0
Average Mass	1080.038
Monoisotopic Mass	1079.36052
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1
InChIKey	NDRVWKXEWNMEEO-HVGANWHPSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541) is a unsaturated fatty acyl-CoA (CHEBI:51006)
	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541) is conjugate acid of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA(4−) (CHEBI:73870)
Incoming Relation(s)
Incoming Relation(s)	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA(4−) (CHEBI:73870) is conjugate base of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (CHEBI:63541)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
docosapentaenoyl-CoA	SUBMITTER
22:5(n-3)-CoA	SUBMITTER
all-cis-7,10,13,16,19-docosapentaenoyl-CoA	ChEBI
7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl-CoA	KEGG COMPOUND
clupanodonyl-CoA	ChEBI
clupanodonyl CoA	ChEBI

Manual Xrefs	Databases
C16166	KEGG COMPOUND