abacavir 5'-carboxylic acid

Properties Image MNX_ID MNXM3203 reference chebi:64192 formula C14H16N6O2 global charge 0 mol weight 300.322 InChIKey OCSMNHMMTKMVCP-APPZFPTMSA-N InChI 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 SMILES NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](C(=O)O)C3)C2=N1 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH:1]1=[CH:4][C@H:9]([N:20]2[CH:6]=[N:16][C:10]3=[C:11]([NH:17][CH:8]4[CH2:2][CH2:3]4)[NH:18][C:14](=[NH:15])[N:19]=[C:12]32)[CH2:5][C@@H:7]1[C:13](=[O:21])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0