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CHEBI:80001 - GW 0791

ChEBI IDCHEBI:80001
ChEBI NameGW 0791
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DownloadsMolfile
FormulaC25H30O3
Net Charge0
Average Mass378.512
Monoisotopic Mass378.21949
SMILESCC1(C)CCC(C)(C)c2cc(C3CCCc4oc(/C=C/C(=O)O)cc43)ccc21
InChIInChI=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+
InChIKeyWRWCAQNPEXYGJK-PKNBQFBNSA-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)
GW 0791 (CHEBI:80001) is a heterocyclic fatty acid (CHEBI:48847)
Manual XrefsDatabases
C15644KEGG COMPOUND
Registry NumbersSources
CAS:503620-39-1KEGG COMPOUND