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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_30794
http://purl.obolibrary.org/obo/CHEBI_30794
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_30794
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Preferred name
malonic acid
Synonyms
HOOC-CH2-COOH
Malonic acid
Propanedioic acid
MALONIC ACID
H2malo
propanedioic acid
Definitions
An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:44060
CHEBI:6660
CHEBI:25132
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
OC(=O)CC(O)=O
obo_purl:charge
0
obo_purl:inchikey
OFOBLEOULBTSOW-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
DrugBank:DB02175
PMID:22770225
MetaCyc:MALONATE
Reaxys:1751370
CAS:141-82-2
LIPID_MAPS_instance:LMFA01170041
PDBeChem:MLA
Wikipedia:Malonic_acid
KNApSAcK:C00001193
KEGG:C00383
HMDB:HMDB0000691
Gmelin:2550
Beilstein:1751370
obo_purl:IAO_0000115
An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
skos:notation
CHEBI:30794
oboinowl_gen:hasExactSynonym
Malonic acid
MALONIC ACID
propanedioic acid
obo_purl:mass
104.06146
obo_purl:inchi
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
obo_purl:formula
C3H4O4
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_30795
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
HOOC-CH2-COOH
Propanedioic acid
H2malo
oboinowl_gen:id
CHEBI:30794
rdfs:label
malonic acid
obo_purl:monoisotopicmass
104.01096
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_28383
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