CHEBI:15527 - icosanoyl-CoA

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ChEBI Name icosanoyl-CoA
ChEBI ID CHEBI:15527
Definition A very long-chain fatty acyl-CoA that is the S-icosanoyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4763, CHEBI:14432, CHEBI:23900
Supplier Information
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Formulae C41H74N7O17P3S
C41H74N7O17P3S
Net Charge 0
Average Mass 1062.04900
Monoisotopic Mass 1061.40748
InChI InChI=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
InChIKey JYLSVNBJLYCSSW-IBYUJNRCSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=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
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing icosanoyl-CoA (CHEBI:15527) has functional parent coenzyme A (CHEBI:15346)
icosanoyl-CoA (CHEBI:15527) has role human metabolite (CHEBI:77746)
icosanoyl-CoA (CHEBI:15527) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
icosanoyl-CoA (CHEBI:15527) is a long-chain fatty acyl-CoA (CHEBI:33184)
Incoming (11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) has functional parent icosanoyl-CoA (CHEBI:15527)
(11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA (CHEBI:74109) has functional parent icosanoyl-CoA (CHEBI:15527)
(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA (CHEBI:74114) has functional parent icosanoyl-CoA (CHEBI:15527)
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 Sources
arachidoyl-CoA ChEBI
Arachidoyl-CoA KEGG COMPOUND
Eicosanoyl-CoA KEGG COMPOUND
eicosanoyl-CoA ChEBI
Manual Xrefs Databases
C02041 KEGG COMPOUND
HMDB0004258 HMDB
LMFA07050006 LIPID MAPS
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Registry Number Type Source
20635662 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
3579296 PubMed citation Europe PMC
Last Modified
31 March 2015