CHEBI:85983 - butyl octadecanoate

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ChEBI Name butyl octadecanoate
ChEBI ID CHEBI:85983
Definition A fatty acid ester that is the butyl ester of stearic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H44O2
Net Charge 0
Average Mass 340.58360
Monoisotopic Mass 340.33413
InChI InChI=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
InChIKey ULBTUVJTXULMLP-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCCC
Metabolite of Species Details
Chlamydomonas reinhardtii (NCBI:txid3055) See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Butyl octadecylate ChemIDplus
Butyl stearate ChemIDplus
N-Butyl stearate ChemIDplus
Manual Xrefs Databases
1345 PPDB
HMDB0040290 HMDB
View more database links
Registry Numbers Types Sources
123-95-5 CAS Registry Number NIST Chemistry WebBook
123-95-5 CAS Registry Number ChemIDplus
1792866 Reaxys Registry Number Reaxys
Last Modified
10 June 2015