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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_28817
http://purl.obolibrary.org/obo/CHEBI_28817
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28817
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Preferred name
dodecane
Synonyms
DODECANE
CH3-[CH2]10-CH3
Bihexyl
n-Dodecane
Dihexyl
Dodecane
Dodekan
dodecane
Definitions
A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:4675
CHEBI:41713
CHEBI:25464
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCCCCCCC
obo_purl:charge
0
obo_purl:inchikey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref
KEGG:C08374
Gmelin:201408
KNApSAcK:C00001248
Reaxys:1697175
DrugBank:DB02771
PDBeChem:D12
Wikipedia:Dodecane
MetaCyc:CPD-9290
HMDB:HMDB0031444
Beilstein:1697175
LIPID_MAPS_instance:LMFA11000004
PMID:24493301
CAS:112-40-3
obo_purl:IAO_0000115
A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).
skos:notation
CHEBI:28817
oboinowl_gen:hasExactSynonym
DODECANE
Dodecane
dodecane
obo_purl:mass
170.33484
obo_purl:inchi
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
obo_purl:formula
C12H26
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
CH3-[CH2]10-CH3
Bihexyl
n-Dodecane
Dihexyl
Dodekan
oboinowl_gen:id
CHEBI:28817
rdfs:label
dodecane
obo_purl:monoisotopicmass
170.20345
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_18310
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