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CHEBI:180148 - 13-methoxy-heneicosanoic acid

ChEBI IDCHEBI:180148
ChEBI Name13-methoxy-heneicosanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H44O3
Net Charge0
Average Mass356.591
Monoisotopic Mass356.32905
SMILESCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC
InChIInChI=1S/C22H44O3/c1-3-4-5-6-12-15-18-21(25-2)19-16-13-10-8-7-9-11-14-17-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
InChIKeyMZXNTCGVKVBBBA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13-methoxy-heneicosanoic acid (CHEBI:180148) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
13-methoxyhenicosanoic acid
Manual XrefsDatabases
20169849ChemSpider
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