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CHEBI:63545 - (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA

ChEBI IDCHEBI:63545
ChEBI Name(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
Stars
ASCII Name(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
DefinitionAn 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 α-linolenic acid metabolism.
Last Modified27 January 2016
SubmitterPhani
DownloadsMolfile
FormulaC39H62N7O17P3S
Net Charge0
Average Mass1025.946
Monoisotopic Mass1025.31357
SMILESCC/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
InChIInChI=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
InChIKeyDDHCSALWDPRVCN-USWKVXSKSA-N
Species of MetaboliteComponentSourceComments
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)-octadecatetraenoyl-CoA (CHEBI:63545) has functional parent all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) has role mouse metabolite (CHEBI:75771)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) is a long-chain fatty acyl-CoA (CHEBI:33184)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) is a stearidonoyl bioconjugate (CHEBI:76185)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) is conjugate acid of (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489)
Incoming Relation(s)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489) is conjugate base of (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545)
IUPAC Name 
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}
Synonyms  Source
6Z,9Z,12Z,15Z-Octadecatetraenoyl-CoAKEGG COMPOUND
18:4(n-3)SUBMITTER
Stearidonoyl-CoAKEGG COMPOUND
all-cis-6,9,12,15-octadecatetraenoyl-CoAChEBI
Manual XrefsDatabases
C16163KEGG COMPOUND