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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_4676
http://purl.obolibrary.org/obo/CHEBI_4676
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_4676
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Preferred name
dodecanedioic acid
Synonyms
1,10-decanedicarboxylic acid
decamethylenedicarboxylic acid
1,12-dodecanedioic acid
Dodecanedioic acid
dodecanedioic acid
1,10-dicarboxydecane
Definitions
An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
OC(=O)CCCCCCCCCCC(O)=O
obo_purl:charge
0
obo_purl:inchikey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
http://purl.obolibrary.org/obo/CHEBI_50269
oboinowl_gen:hasDbXref
PMID:24166667
PMID:22242741
MetaCyc:CPD-10670
PMID:11544559
Patent:WO2010085712
Patent:DE102007054497
AGR:IND44425877
Patent:KR20110125221
CAS:693-23-2
Patent:EP2389349
PMID:9591306
Reaxys:1782580
Beilstein:1782580
Gmelin:261693
PMID:2302418
PMID:19222421
HMDB:HMDB0000623
KEGG:C02678
Patent:EP2407444
PMID:19428350
LIPID_MAPS_instance:LMFA01170009
obo_purl:IAO_0000115
An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
skos:notation
CHEBI:4676
oboinowl_gen:hasExactSynonym
Dodecanedioic acid
dodecanedioic acid
obo_purl:mass
230.30068
obo_purl:inchi
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
obo_purl:formula
C12H22O4
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_76273
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:has_parent_hydride
http://purl.obolibrary.org/obo/CHEBI_28817
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
1,10-decanedicarboxylic acid
decamethylenedicarboxylic acid
1,12-dodecanedioic acid
1,10-dicarboxydecane
oboinowl_gen:id
CHEBI:4676
rdfs:label
dodecanedioic acid
obo_purl:monoisotopicmass
230.15181
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_28383
http://purl.obolibrary.org/obo/CHEBI_189840
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