OntologiesslmclassesCHEBI:65132   
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(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_65132

An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism.

Defined bychebi
Also appears ingo
Exact Synonyms
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Related Synonyms
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A
cervonyl CoA
cervonyl coenzyme A
cervonyl-CoA
cervonyl-coenzyme A
CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DHA-CoA
class Information
charge

0

formula

C43H66N7O17P3S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C43H66N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(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-,21-20-/t32-,36-,37-,38+,42-/m1/s1

inchikey

MENFZXMQSYYVRK-CRCGJGBYSA-N

in_subset

3_STAR

mass

1078.00700

monoisotopicmass

1077.34488

smiles

CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

class Relations