Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:31002 - octacosanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
octacosanoate
ChEBI ID
CHEBI:31002
Definition
A straight-chain saturated fatty acid anion and the conjugate base of octacosanoic acid (montanic acid), arising from deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C28H55O2
Net Charge
-1
Average Mass
423.736
Monoisotopic Mass
423.42075
InChI
InChI=1S/C28H56O2/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)
30/h2-
27H2,1H3,(H,29,30)
/p-
1
InChIKey
UTOPWMOLSKOLTQ-UHFFFAOYSA-M
SMILES
C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
octacosanoate (
CHEBI:31002
)
is a
fatty acid anion 28:0 (
CHEBI:78130
)
octacosanoate (
CHEBI:31002
)
is a
straight-chain saturated fatty acid anion (
CHEBI:58954
)
octacosanoate (
CHEBI:31002
)
is a
ultra-long-chain fatty acid anion (
CHEBI:143005
)
octacosanoate (
CHEBI:31002
)
is conjugate base of
octacosanoic acid (
CHEBI:31001
)
Incoming
octacosanoic acid (
CHEBI:31001
)
is conjugate acid of
octacosanoate (
CHEBI:31002
)
IUPAC Name
octacosanoate
Synonyms
Sources
1-octacosanoate
ChEBI
CH
3
‒[CH
2
]
26
‒COO
−
IUPAC
montanate
ChEBI
n
-octacosanoate
ChEBI
octaeicosanoate
ChEBI
Citation
Type
Source
15513825
PubMed citation
Europe PMC
Last Modified
01 February 2019
General Comment
2011-01-25
Common cosmetic ingredient, as glyceryl montanate.