Ketcher 10111614592D 1 1.00000 0.00000 0 17 17 0 1 0 999 V2000 18.5033 -3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5033 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3694 -4.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6372 -4.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6372 -5.9252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7713 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9052 -4.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9052 -5.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0391 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1732 -4.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0391 -6.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1732 -5.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3071 -6.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 -6.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4411 -5.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9410 -5.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9410 -5.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 2 1 0 0 0 4 5 1 1 0 0 6 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 7 2 0 0 0 10 9 1 0 0 0 11 8 2 0 0 0 12 10 2 0 0 0 11 12 1 0 0 0 13 12 1 0 0 0 14 15 1 0 0 0 15 13 1 0 0 0 15 16 2 0 0 0 15 17 2 0 0 0 M CHG 3 3 -1 5 1 14 -1 M END > CHEBI:133573 > O(4')-sulfo-L-tyrosinate(1-) > An L-α-amino acid anion that is the conjugate base of O4'-sulfo-L-tyrosine; major species ar pH 7.3. > 3 > tyrosine sulfate(1-); O(4')-sulfotyrosinate(1-); O(4')-sulfo-L-tyrosine(1-); O-sulfotyrosinate(1-) > (2S)-2-azaniumyl-3-[4-(sulfonatooxy)phenyl]propanoate > C9H10NO6S > 260.245 > 260.02343 > -1 > O=C([O-])[C@@H]([NH3+])CC=1C=CC(=CC1)OS([O-])(=O)=O > InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/p-1/t8-/m0/s1 > CIQHWLTYGMYQQR-QMMMGPOBSA-M $$$$