Docosanediol-1,14-disulfate

Properties Image MNX_ID MNXM104667 reference chebi:169243 formula C22H46O8S2 global charge 0 mol weight 502.736 InChIKey UUCGHXFCAGWVSX-UHFFFAOYSA-N InChI InChI=1S/C22H46O8S2/c1-2-3-4-5-13-16-19-22(30-32(26,27)28)20-17-14-11-9-7-6-8-10-12-15-18-21-29-31(23,24)25/h22H,2-21H2,1H3,(H,23,24,25)(H,26,27,28) SMILES CCCCCCCCC(CCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O MNX internals InChI (mnx) InChI=1/C22H46O8S2/c1-2-3-4-5-13-16-19-22(30-32(26,27)28)20-17-14-11-9-7-6-8-10-12-15-18-21-29-31(23,24)25/h22H,2-21H2,1H3,(H,23,24,25)(H,26,27,28)/t22? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:13][CH2:16][CH2:19][CH:22]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:12][CH2:15][CH2:18][CH2:21][O:29][S:31]([OH:23])(=[O:24])=[O:25])[O:30][S:32]([OH:26])(=[O:27])=[O:28]

Parent-child relations graph

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