CHEBI:82265 - Propyl isome

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ChEBI Name Propyl isome
ChEBI ID CHEBI:82265
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H26O6
Net Charge 0
Average Mass 362.41680
Monoisotopic Mass 362.17294
InChI InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3
InChIKey UEKQGZQLUMSLNW-UHFFFAOYSA-N
SMILES CCCOC(=O)C1C(C)Cc2cc3OCOc3cc2C1C(=O)OCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Propyl isome (CHEBI:82265) is a naphthoic acid (CHEBI:25483)
Synonym Source
1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropyl KEGG COMPOUND
Manual Xref Database
C19145 KEGG COMPOUND
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Registry Number Type Source
83-59-0 CAS Registry Number KEGG COMPOUND