CHEBI:203591 - Fomentaric acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fomentaric acid
ChEBI ID CHEBI:203591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H80O4
Net Charge 0
Average Mass 637.087
Monoisotopic Mass 636.60566
InChI InChI=1S/C41H80O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(40(44)45,38(3)39(42)43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3,(H,42,43)(H,44,45)/t38-/m1/s1
InChIKey HMUUCDMJEVHRMW-KXQOOQHDSA-N
SMILES O=C(O)C([C@@H](C(=O)O)C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Fomes fomentarius (NCBI:txid40442) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fomentaric acid (CHEBI:203591) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
3-methyl-2,2-dioctadecylbutanedioic acid
Manual Xref Database
78435399 ChemSpider
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