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CHEBI:64976 - ergosteryl palmitate

ChEBI IDCHEBI:64976
ChEBI Nameergosteryl palmitate
Stars
DefinitionA ergosteryl ester obtained by formal condensation of the 3-hydroxy group of ergosterol with the carboxy group of hexadecanoic (palmitic) acid. A natural product found in Chaetomium globosum and Chaetomium longirostre.
Secondary ChEBI IDCHEBI:68695
Last Modified15 August 2024
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H74O2
Net Charge0
Average Mass635.074
Monoisotopic Mass634.56888
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@@]21C
InChIInChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-25,33-35,37,39-41H,8-21,26-32H2,1-7H3/b23-22+/t34-,35+,37-,39+,40-,41-,43-,44+/m0/s1
InChIKeyOJDWINNMESMCGK-NXCSPJMSSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (12357398)
Chaetomium longirostre (ncbitaxon:669026)
- PubMed (22004007)
- PubMed (22004007) Ethyl acetate extract of dried fungal biomass
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ergosteryl palmitate (CHEBI:64976) has role metabolite (CHEBI:25212)
ergosteryl palmitate (CHEBI:64976) is a ergosteryl ester (CHEBI:52320)
IUPAC Name 
(22E)-ergosta-5,7,22-trien-3β-yl hexadecanoate
Synonyms  Source
ergosteryl hexadecanoateChEBI
ergosterol palmitateChEBI
ergosterol hexadecanoateChEBI
(3β,22E)-ergosta-5,7,22-trien-3-yl palmitateIUPAC
(22E)-ergosta-5,7,22-trien-3β-yl palmitateChEBI
(22E)-ergosta-5,7,22-trien-3β-yl palmitateIUPAC
UniProt Name  Source
ergosteryl hexadecanoateUniProt
Registry NumbersSources
Reaxys:3186977Reaxys
CAS:3992-98-1Reaxys
Citations