N-acetyl-L-cystathionine

Properties Image MNX_ID MNXM168463 reference vmhM:CE5082 formula C9H15N2O5S global charge -1 mol weight 263.295 InChIKey QWACVTVBTRSCRL-RNFRBKRXSA-M InChI InChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1/t6-,7-/m1/s1 SMILES CC([O-])=N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m1/s1 SMILES (mnx) [CH3:1][C:5](=[N:11][C@H:7]([CH2:4][S:17][CH2:3][CH2:2][C@H:6]([C:8](=[O:13])[OH:14])[NH2:10])[C:9](=[O:15])[OH:16])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1