5-S-Cysteinyldopa

Properties Image MNX_ID MNXM744478 reference biggM:CE1261 formula C12H16N2O6S global charge 0 mol weight 316.335 InChIKey SXISMOAILJWTID-RQJHMYQMSA-N InChI InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m1/s1 SMILES [NH3+][C@H](CC1=CC(SC[C@H]([NH3+])C(=O)[O-])=C(O)C(O)=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m1/s1 SMILES (mnx) [CH2:1]([C:5]1=[CH:2][C:8]([OH:15])=[C:10]([OH:16])[C:9]([S:21][CH2:4][C@@H:7]([C:12](=[O:19])[OH:20])[NH2:14])=[CH:3]1)[C@H:6]([C:11](=[O:17])[OH:18])[NH2:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 5