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CHEBI:85983 - butyl octadecanoate

ChEBI IDCHEBI:85983
ChEBI Namebutyl octadecanoate
Stars
DefinitionA fatty acid ester that is the butyl ester of stearic acid.
Last Modified10 June 2015
Submitternamrata
DownloadsMolfile
FormulaC22H44O2
Net Charge0
Average Mass340.592
Monoisotopic Mass340.33413
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCC
InChIInChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
InChIKeyULBTUVJTXULMLP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Roles Classification
Biological Role:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
ChEBI Ontology
Outgoing Relation(s)
butyl octadecanoate (CHEBI:85983) has functional parent octadecanoic acid (CHEBI:28842)
butyl octadecanoate (CHEBI:85983) has role algal metabolite (CHEBI:84735)
butyl octadecanoate (CHEBI:85983) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl octadecanoate
Synonyms  Source
Butyl stearateChemIDplus
N-Butyl stearateChemIDplus
Butyl octadecylateChemIDplus
Manual XrefsDatabases
HMDB0040290HMDB
1345PPDB
Registry NumbersSources
Reaxys:1792866Reaxys
CAS:123-95-5ChemIDplus
CAS:123-95-5NIST Chemistry WebBook