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

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ChEBI Name (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
ChEBI ID CHEBI:63545
ChEBI ASCII Name (6Z,9Z,12Z,15Z)-octadecatetraenoyl-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 (6Z,9Z,12Z,15Z)-octadecatetraenoic acid. It is a member of the n-3 PUFA and is the product of α-linolenic acid metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Phani Vijay Garapati
Supplier Information
Download Molfile XML SDF
Formula C39H62N7O17P3S
Net Charge 0
Average Mass 1025.93300
Monoisotopic Mass 1025.31358
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
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
18:4(n-3) SUBMITTER
6Z,9Z,12Z,15Z-Octadecatetraenoyl-CoA KEGG COMPOUND
all-cis-6,9,12,15-octadecatetraenoyl-CoA ChEBI
Stearidonoyl-CoA KEGG COMPOUND
Manual Xref Database
C16163 KEGG COMPOUND
View more database links
Last Modified
27 January 2016