input word = C00052149

Metabolite InformationStructural formula
Name 3-Methyladipic acid
Formula C7H12O4
Mw 160.07355887
CAS RN 3058-01-3
C_ID C00052149
InChIKey SYEOWUNSTUDKGM-UHFFFAOYSA-N
InChICode InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
SMILES CC(CCC(=O)O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
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