2-[(2-oxopropyl)sulfanyl]ethane-1-sulfonate CDK 2/12/10,15:26 11 10 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 7 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 4 2 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 M CHG 1 11 -1 M END > CHEBI:57552 > 2-oxopropyl-CoM(1-) > Conjugate base of 2-oxopropyl-coenzyme M arising from deprotonation of the sulfonate function. > 3 > 2-oxopropyl-CoM anion; 2-oxopropyl-coenzyme M(1-); 2-oxopropyl-coenzyme M; 2-[(2-oxopropyl)sulfanyl]ethane-1-sulfonate > 2-[(2-oxopropyl)sulfanyl]ethanesulfonate > C5H9O4S2 > 197.25300 > 196.99477 > -1 > CC(=O)CSCCS([O-])(=O)=O > InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)/p-1 > CRNXHFXAXBWIRH-UHFFFAOYSA-M $$$$