Molecule: abacavir 5'-carboxylic acid
A monocarboxylic acid oxidation product of abacavir, in which the C-5' hydroxymethyl group has been oxidised to a carboxy group. One of the two major metabolites of abacavir in humans (the other is the 5'-glucuronide, CHEBI:64189).
Synonyms for abacavir 5'-carboxylic acid :
5'-oxoabacavir
abacavir 5'-carboxylate
abacavir carboxylate
abacavir carboxylic acid
Molecular Formula: C14H16N6O2
Molecular wt: 300.31580 g/mole
Charge: 0
SMILES: Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@@H](C=C3)C(O)=O)c2n1
InChIKey: OCSMNHMMTKMVCP-APPZFPTMSA-N
InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19)/t7-,9+/m1/s1
Sample reactions for this molecule: