Mrv0541 02231216162D 10 9 0 0 0 0 999 V2000 -0.1914 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 M END > DB02522 > drugbank > OC(=O)C(=O)CP(O)(O)=O > InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9) > CHDDAVCOAOFSLD-UHFFFAOYSA-N > C3H5O6P > 168.042 > 167.982374404 > 6 > 15 > -2.1137618975339834 > 11.909017771364867 > 1 > 3 > 0 > 0 > 2-oxo-3-phosphonopropanoic acid > -1.90 > -1.3069837489999996 > -0.95 > 0 > -2 > 0 > -2 > 3.028580752594301 > 1.6432287689882894 > -9.966621278519415 > 111.9 > 28.979999999999997 > 3 > 1 > 1.88e+01 g/l > biotin > 0 > DB02522 > EXPT02646 > experimental > Phosphonopyruvate $$$$