CHEBI:80001 - GW 0791

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ChEBI Name GW 0791
ChEBI ID CHEBI:80001
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H30O3
Net Charge 0
Average Mass 378.50390
Monoisotopic Mass 378.21949
InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+
InChIKey WRWCAQNPEXYGJK-PKNBQFBNSA-N
SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)\C=C\C(O)=O
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 GW 0791 (CHEBI:80001) is a heterocyclic fatty acid (CHEBI:48847)
Manual Xref Database
C15644 KEGG COMPOUND
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Registry Number Type Source
503620-39-1 CAS Registry Number KEGG COMPOUND