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CHEBI:15527 - icosanoyl-CoA

ChEBI IDCHEBI:15527
ChEBI Nameicosanoyl-CoA
Stars
DefinitionA very long-chain fatty acyl-CoA that is the S-icosanoyl derivative of coenzyme A.
Secondary ChEBI IDsCHEBI:4763, CHEBI:14432, CHEBI:23900
Last Modified7 June 2024
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC41H74N7O17P3S
Net Charge0
Average Mass1062.064
Monoisotopic Mass1061.40747
SMILESCCCCCCCCCCCCCCCCCCCC(=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/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36+,40-/m1/s1
InChIKeyJYLSVNBJLYCSSW-IBYUJNRCSA-N

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification

ChEBI Ontology
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms  Source
Eicosanoyl-CoAKEGG COMPOUND
eicosanoyl-CoAChEBI
arachidoyl-CoAChEBI
Arachidoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C02041KEGG COMPOUND
LMFA07050006LIPID MAPS
HMDB0004258HMDB
Registry NumbersSources
Reaxys:20635662Reaxys
Citations