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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:78710 - heptacosanoic acid
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ChEBI Name
heptacosanoic acid
ChEBI ID
CHEBI:78710
Definition
A C
27
, very long straight-chain, saturated fatty acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H54O2
Net Charge
0
Average Mass
410.71650
Monoisotopic Mass
410.41238
InChI
InChI=1S/C27H54O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
22-
23-
24-
25-
26-
27(28)
29/h2-
26H2,1H3,(H,28,29)
InChIKey
VXZBFBRLRNDJCS-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(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
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
heptacosanoic acid (
CHEBI:78710
)
has role
plant metabolite (
CHEBI:76924
)
heptacosanoic acid (
CHEBI:78710
)
is a
straight-chain saturated fatty acid (
CHEBI:39418
)
heptacosanoic acid (
CHEBI:78710
)
is a
very long-chain fatty acid (
CHEBI:27283
)
heptacosanoic acid (
CHEBI:78710
)
is conjugate acid of
heptacosanoate (
CHEBI:78020
)
Incoming
ω-hydroxyheptacosanoic acid (
CHEBI:84861
)
has functional parent
heptacosanoic acid (
CHEBI:78710
)
26-methylheptacosanoic acid (
CHEBI:84907
)
has functional parent
heptacosanoic acid (
CHEBI:78710
)
heptacosanoate (
CHEBI:78020
)
is conjugate base of
heptacosanoic acid (
CHEBI:78710
)
IUPAC Name
heptacosanoic acid
Synonyms
Sources
C27:0
LIPID MAPS
Carboceric acid
LIPID MAPS
Manual Xrefs
Databases
CPD-7829
MetaCyc
HMDB0002063
HMDB
LMFA01010027
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1800778
Reaxys Registry Number
Reaxys
7138-40-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24746767
PubMed citation
Europe PMC
7276981
PubMed citation
Europe PMC
Last Modified
19 February 2015