CHEBI:63546 - (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

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ChEBI Name (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
ChEBI ID CHEBI:63546
ChEBI ASCII Name (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-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,18Z)-tetracosapentaenoic acid. It is a member of the n-6 PUFA and is the product of linoleic acid metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Phani Vijay Garapati
Supplier Information
Download Molfile XML SDF
Formula C45H72N7O17P3S
Net Charge 0
Average Mass 1108.07600
Monoisotopic Mass 1107.39183
InChI InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1
InChIKey XZYNVQDKYRHKFG-QOJZHLSOSA-N
SMILES CCCCC\C=C/C\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,18Z)-tetracosapentaenoyl-CoA (CHEBI:63546) has role mouse metabolite (CHEBI:75771)
(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:63546) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:63546) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:63546) is conjugate acid of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:74084)
Incoming (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:74084) is conjugate base of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (CHEBI:63546)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms Sources
24:5(n-6) SUBMITTER
all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA ChEBI
tetracosapentaenoyl-CoA SUBMITTER
Manual Xref Database
C16172 KEGG COMPOUND
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Last Modified
27 January 2016