CPD-5846

Metabolite CPD-5846

• smiles:
  • CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))
• molecular weight:
  • 443.688
• inchi key:
  • InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M
• common name:
  • 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
• Synonym(s):
  • 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid

Reaction(s) known to produce the compound

• RXN-6269
• RXN-13188

Reaction(s) of unknown directionality

• 1.1.1.170-RXN

External links

• CHEBI:
  • 58387
• PUBCHEM:
  • 21145105
• LIGAND-CPD:
  • C04840
• CHEMSPIDER:
  • 20015982
• HMDB : HMDB11662

Property "Smiles" (as page type) with input value "CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.

Property "Common name" (as page type) with input value "17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.