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Ontologies
ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_16958
http://purl.obolibrary.org/obo/CHEBI_16958
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_16958
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Preferred name
beta-alanine
Synonyms
omega-aminopropionic acid
bAla
beta-aminopropionic acid
H-beta-Ala-OH
beta-alanine
BETA-ALANINE
3-aminopropanoic acid
3-Aminopropionic acid
beta-Alanine
Definitions
A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:41050
CHEBI:10343
CHEBI:12389
CHEBI:22821
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_25512
http://purl.obolibrary.org/obo/CHEBI_77746
http://purl.obolibrary.org/obo/CHEBI_78675
http://purl.obolibrary.org/obo/CHEBI_48705
http://purl.obolibrary.org/obo/CHEBI_35222
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
NCCC(O)=O
obo_purl:charge
0
obo_purl:inchikey
UCMIRNVEIXFBKS-UHFFFAOYSA-N
obo_purl:is_tautomer_of
http://purl.obolibrary.org/obo/CHEBI_57966
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25512
http://purl.obolibrary.org/obo/CHEBI_77746
http://purl.obolibrary.org/obo/CHEBI_78675
http://purl.obolibrary.org/obo/CHEBI_48705
http://purl.obolibrary.org/obo/CHEBI_35222
oboinowl_gen:hasDbXref
PMID:12107759
PMID:11850512
PMID:14363188
Wikipedia:Beta-Alanine
Beilstein:906793
PDBeChem:BAL
PMID:19955842
CAS:107-95-9
DrugBank:DB03107
PMID:20386120
PMID:12887142
PMID:19239140
PMID:16934791
PMID:20199122
Reaxys:906793
HMDB:HMDB0000056
KEGG:D07561
PMID:22735334
PMID:20479615
PMID:18613640
PMID:18528519
PMID:11139233
PMID:20994958
KNApSAcK:C00001333
Gmelin:49614
KEGG:C00099
MetaCyc:B-ALANINE
obo_purl:IAO_0000115
A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
skos:notation
CHEBI:16958
oboinowl_gen:hasExactSynonym
beta-alanine
BETA-ALANINE
3-aminopropanoic acid
beta-Alanine
obo_purl:mass
89.09322
obo_purl:inchi
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
obo_purl:formula
C3H7NO2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_63070
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
omega-aminopropionic acid
bAla
beta-aminopropionic acid
H-beta-Ala-OH
3-aminopropanoic acid
3-Aminopropionic acid
oboinowl_gen:id
CHEBI:16958
rdfs:label
beta-alanine
obo_purl:monoisotopicmass
89.04768
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_33706
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