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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:85218 - (2
S
)-2-methylheptadecanoic acid
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ChEBI Name
(2
S
)-2-methylheptadecanoic acid
ChEBI ID
CHEBI:85218
ChEBI ASCII Name
(2S)-2-methylheptadecanoic acid
Definition
A methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the
S
-enantiomer).
Stars
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-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17(2)
18(19)
20/h17H,3-
16H2,1-
2H3,(H,19,20)
/t17-
/m0/s1
InChIKey
IZUAKSAWRVFBPE-KRWDZBQOSA-N
SMILES
CCCCCCCCCCCCCCC[C@H](C)C(O)=O
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
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
has functional parent
heptadecanoic acid (
CHEBI:32365
)
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
is a
branched-chain saturated fatty acid (
CHEBI:39417
)
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
is a
long-chain fatty acid (
CHEBI:15904
)
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
is conjugate acid of
(2
S
)-2-methylheptadecanoate (
CHEBI:84269
)
Incoming
(2
S
)-2-methylheptadecanoate (
CHEBI:84269
)
is conjugate base of
(2
S
)-2-methylheptadecanoic acid (
CHEBI:85218
)
IUPAC Name
(2
S
)-2-methylheptadecanoic acid
Last Modified
13 March 2015