Gemcitabine monophosphate

Properties Image MNX_ID MNXM164795 reference sabiorkM:23777 formula C11H11BrO2 global charge 0 mol weight 255.111 InChIKey PCWSXZKCMFZMDA-UHFFFAOYSA-N InChI InChI=1S/C11H11BrO2/c12-10-7-3-4-6(8(4)10)9(5(3)7)11(10)13-1-2-14-11/h3-9H,1-2H2 SMILES BrC12C3C4C5C(C(C43)C13OCCO3)C52 MNX internals InChI (mnx) InChI=1/C11H11BrO2/c12-10-7-3-4-6(8(4)10)9(5(3)7)11(10)13-1-2-14-11/h3-9H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10? SMILES (mnx) [CH2:1]1[CH2:2][O:14][C:11]2([CH:9]3[CH:5]4[CH:3]5[CH:4]6[CH:6]3[CH:8]6[C:10]2([Br:12])[CH:7]54)[O:13]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0