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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:142497 - 1-behenoylglycerol
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ChEBI Ontology
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ChEBI Name
1-behenoylglycerol
ChEBI ID
CHEBI:142497
Definition
A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
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Formula
C25H50O4
Net Charge
0
Average Mass
414.663
Monoisotopic Mass
414.37091
InChI
InChI=1S/C25H50O4/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
25(28)
29-
23-
24(27)
22-
26/h24,26-
27H,2-
23H2,1H3
InChIKey
OKMWKBLSFKFYGZ-UHFFFAOYSA-N
SMILES
C(CCCCCCCCCCCC)CCCCCCCCC(OCC(O)CO)=O
Metabolite of Species
Details
Sapium baccatum
(NCBI:txid1679265)
Found in bark
(BTO:0001301)
. Isolated from stem bark See:
PubMed
Roles Classification
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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-behenoylglycerol (
CHEBI:142497
)
has functional parent
docosanoic acid (
CHEBI:28941
)
1-behenoylglycerol (
CHEBI:142497
)
has functional parent
glycerol (
CHEBI:17754
)
1-behenoylglycerol (
CHEBI:142497
)
has role
antineoplastic agent (
CHEBI:35610
)
1-behenoylglycerol (
CHEBI:142497
)
has role
plant metabolite (
CHEBI:76924
)
1-behenoylglycerol (
CHEBI:142497
)
is a
1-monoglyceride (
CHEBI:35759
)
1-behenoylglycerol (
CHEBI:142497
)
is a
fatty acid ester (
CHEBI:35748
)
IUPAC Name
2,3-dihydroxypropyl docosanoate
Synonyms
Sources
1-acylglycerol 22:0
SUBMITTER
1-docosanoylglycerol
UniProt
1-
O
-docosanoylglycerol
ChEBI
docosanoic acid 2',3'-dihydroxypropyl ester
ChEBI
glycerol behenate
ChEBI
glycerol-behenic acid monoester
ChEBI
Registry Numbers
Types
Sources
1886911
Reaxys Registry Number
Reaxys
30233-64-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24697194
PubMed citation
Europe PMC
30237167
PubMed citation
SUBMITTER
Last Modified
08 November 2018