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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.
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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