OntologiesslmclassesCHEBI:63545   
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(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_63545

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)-octadecatetraenoic acid. It is a member of the n-3 PUFA and is the product of alpha-linolenic acid metabolism.

Defined bychebi
Also appears ingo
Exact Synonyms
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,151-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Related Synonyms
18:4(n-3)
6Z,9Z,12Z,15Z-Octadecatetraenoyl-CoA
all-cis-6,9,12,15-octadecatetraenoyl-CoA
Stearidonoyl-CoA
class Information
charge

0

formula

C39H62N7O17P3S

has_dbxref

KEGG:C16163

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1

inchikey

DDHCSALWDPRVCN-USWKVXSKSA-N

in_subset

3_STAR

mass

1025.93300

monoisotopicmass

1025.31358

smiles

CC\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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

class Relations