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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:78020 - heptacosanoate
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ChEBI Name
heptacosanoate
ChEBI ID
CHEBI:78020
Definition
A very long-chain fatty acid anion that is the conjugate base of heptacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
AnneNiknejad
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Formula
C27H53O2
Net Charge
-1
Average Mass
409.70910
Monoisotopic Mass
409.40510
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)
/p-
1
InChIKey
VXZBFBRLRNDJCS-UHFFFAOYSA-M
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
heptacosanoate (
CHEBI:78020
)
is a
very long-chain fatty acid anion (
CHEBI:58950
)
heptacosanoate (
CHEBI:78020
)
is conjugate base of
heptacosanoic acid (
CHEBI:78710
)
Incoming
heptacosanoic acid (
CHEBI:78710
)
is conjugate acid of
heptacosanoate (
CHEBI:78020
)
IUPAC Name
heptacosanoate
Synonym
Source
carbocerate
MetaCyc
Manual Xref
Database
CPD-7829
MetaCyc
View more database links
Citation
Type
Source
22829653
PubMed citation
SUBMITTER
Last Modified
05 June 2014