a N-[omega-(9R,10R)-epoxy-13-oxo-(11E)-octadecenoyloxy]-acylsphing-4E-enine

Properties Image MNX_ID MNXM158426 reference chebi:77892 formula C37H65NO7* global charge 0 mol weight   InChIKey   InChI   SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)[*]OC(=O)CCCCCCC[C@H]1O[C@@H]1/C=C/C(=O)CCCCC MNX internals InChI (mnx) InChI=1/C38H67NO7/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-25-34(42)33(30-40)39-37(43)31-45-38(44)27-23-19-16-18-22-26-35-36(46-35)29-28-32(41)24-20-6-4-2/h21,25,28-29,33-36,40,42H,3-20,22-24,26-27,30-31H2,1-2H3,(H,39,43)/b25-21+,29-28+/t33-,34+,35+,36+/m0/s1/i31+1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17]/[CH:21]=[CH:25]/[C@H:34]([C@H:33]([CH2:30][OH:40])[N:39]=[C:37]([13CH2:31][O:45][C:38]([CH2:27][CH2:23][CH2:19][CH2:16][CH2:18][CH2:22][CH2:26][C@@H:35]1[C@@H:36](/[CH:29]=[CH:28]/[C:32]([CH2:24][CH2:20][CH2:6][CH2:4][CH3:2])=[O:41])[O:46]1)=[O:44])[OH:43])[OH:42]

Parent-child relations graph

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