(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one

Properties Image MNX_ID MNXM7926 reference chebi:133941 formula C22H44O6 global charge 0 mol weight 404.588 InChIKey NYWGYGGFNSPMLY-GXKXQWPPSA-N InChI InChI=1S/C22H44O6/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-16,18-22,24-28H,5-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m0/s1 SMILES CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O MNX internals InChI (mnx) InChI=1/C22H44O6/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-16,18-22,24-28H,5-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:9][C@@H:16]([CH3:3])[C@H:22]([C@H:21]([CH2:13][C@@H:15]([CH3:2])[CH2:12][C@@H:18]([CH2:10][CH2:7][CH2:8][CH2:11][C@H:19]([CH2:14][C@@H:20]([C:17]([CH3:4])=[O:23])[OH:26])[OH:25])[OH:24])[OH:27])[OH:28]

Parent-child relations graph

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