1-O-acyl-N-(acetyl)-sphing-4-enine

Properties Image MNX_ID MNXM150100 reference chebi:84483 formula C21H38NO4* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)OC[C@H](NC(C)=O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)21(23-19(2)24)18-27-20(3)25/h16-17,21-22,26H,4-15,18H2,1-3H3,(H,23,24)/b17-16+/t21-,22+/m0/s1/i3+1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:22]([C@H:21]([CH2:18][O:27][C:20]([13CH3:3])=[O:25])[N:23]=[C:19]([CH3:2])[OH:24])[OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 8