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> Main
CHEBI:84896 - 16-methylheptadecanoic acid
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ChEBI Name
16-methylheptadecanoic acid
ChEBI ID
CHEBI:84896
Definition
A methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H36O2
Net Charge
0
Average Mass
284.47720
Monoisotopic Mass
284.27153
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
XDOFQFKRPWOURC-UHFFFAOYSA-N
SMILES
CC(C)CCCCCCCCCCCCCCC(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
16-methylheptadecanoic acid (
CHEBI:84896
)
has functional parent
heptadecanoic acid (
CHEBI:32365
)
16-methylheptadecanoic acid (
CHEBI:84896
)
is a
branched-chain saturated fatty acid (
CHEBI:39417
)
16-methylheptadecanoic acid (
CHEBI:84896
)
is a
long-chain fatty acid (
CHEBI:15904
)
16-methylheptadecanoic acid (
CHEBI:84896
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
IUPAC Name
16-methylheptadecanoic acid
Synonyms
Sources
(+)-Isostearic acid
LIPID MAPS
16-methylmargaric acid
ChEBI
Isooctadecanoic acid
ChemIDplus
Manual Xrefs
Databases
HMDB0031066
HMDB
LMFA01020014
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1782699
Reaxys Registry Number
Reaxys
2724-58-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13363830
PubMed citation
Europe PMC
6033596
PubMed citation
Europe PMC
IND44470815
Agricola citation
Europe PMC
IND92029540
Agricola citation
Europe PMC
Last Modified
19 February 2015