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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:46050 - docosane
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ChEBI Ontology
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ChEBI Name
docosane
ChEBI ID
CHEBI:46050
Definition
A straight-chain alkane with 22 carbon atoms.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:46049, CHEBI:30271
Supplier Information
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Formula
C22H46
Net Charge
0
Average Mass
310.60064
Monoisotopic Mass
310.35995
InChI
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
HOWGUJZVBDQJKV-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCC
Metabolite of Species
Details
Frullania scandens
(NCBI:txid642360)
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
docosane (
CHEBI:46050
)
has role
plant metabolite (
CHEBI:76924
)
docosane (
CHEBI:46050
)
is a
long-chain alkane (
CHEBI:83563
)
Incoming
1,2-docosanediol (
CHEBI:84958
)
has parent hydride
docosane (
CHEBI:46050
)
docosanedioic acid (
CHEBI:76319
)
has parent hydride
docosane (
CHEBI:46050
)
docosanol (
CHEBI:197511
)
has parent hydride
docosane (
CHEBI:46050
)
behenyl group (
CHEBI:32933
)
is substituent group from
docosane (
CHEBI:46050
)
IUPAC Name
docosane
Synonyms
Sources
CH
3
‒[CH
2
]
20
‒CH
3
IUPAC
Dokosan
ChEBI
n
-docosane
NIST Chemistry WebBook
Manual Xrefs
Databases
C00035592
KNApSAcK
TWT
PDBeChem
View more database links
Registry Numbers
Types
Sources
1702206
Beilstein Registry Number
Beilstein
1702206
Reaxys Registry Number
Reaxys
629-97-0
CAS Registry Number
NIST Chemistry WebBook
629-97-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
12620357
PubMed citation
Europe PMC
Last Modified
26 October 2023