compound 0236466

Properties Image MNX_ID MNXM1179871 reference envipathM:...b71d597bca32 formula C14H17NO8S global charge -2 mol weight 359.356 InChIKey GUYNRQRVIMABBW-UHFFFAOYSA-L InChI InChI=1S/C14H19NO8S/c16-6-1-3-8(17)9(5-6)24-15-12(20)7(2-4-10(18)19)11(13(15)21)14(22)23/h6-9,11,16-17H,1-5H2,(H,18,19)(H,22,23)/p-2 SMILES O=C([O-])CCC1C(=O)N(SC2CC(O)CCC2O)C(=O)C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H19NO8S/c16-6-1-3-8(17)9(5-6)24-15-12(20)7(2-4-10(18)19)11(13(15)21)14(22)23/h6-9,11,16-17H,1-5H2,(H,18,19)(H,22,23)/t6?,7?,8?,9?,11? SMILES (mnx) [CH2:1]1[CH2:3][CH:8]([OH:17])[CH:9]([S:24][N:15]2[C:12](=[O:20])[CH:7]([CH2:2][CH2:4][C:10](=[O:18])[OH:19])[CH:11]([C:14](=[O:22])[OH:23])[C:13]2=[O:21])[CH2:5][CH:6]1[OH:16]

Parent-child relations graph

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