13-sophorosyloxydocosanoic acid

Properties Image MNX_ID MNXM8020 reference chebi:26723 formula C34H64O13 global charge 0 mol weight 680.873 InChIKey OAKLJPBSRRDONB-FCILMWLFSA-N InChI InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1 SMILES CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:9][CH2:12][CH2:15][CH2:18][CH:23]([CH2:19][CH2:16][CH2:13][CH2:10][CH2:7][CH2:6][CH2:8][CH2:11][CH2:14][CH2:17][CH2:20][C:26](=[O:37])[OH:38])[O:44][C@H:34]1[C@H:32]([O:47][C@H:33]2[C@H:31]([OH:43])[C@@H:29]([OH:41])[C@H:27]([OH:39])[C@@H:24]([CH2:21][OH:35])[O:45]2)[C@@H:30]([OH:42])[C@H:28]([OH:40])[C@@H:25]([CH2:22][OH:36])[O:46]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0