a phytosphingenine

Properties Image MNX_ID MNXM1132155 reference metacycM:CPD-17589 formula C18H38NO3 global charge 1 mol weight 316.506 InChIKey CQKNELOTFUSOTP-KSZLIROESA-O InChI InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/p+1/t16-,17+,18-/m0/s1 SMILES CCCCCCCCCC=CCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO MNX internals InChI (mnx) InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10?/t16-,17+,18-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][C@H:17]([C@H:18]([C@H:16]([CH2:15][OH:20])[NH2:19])[OH:22])[OH:21]

Parent-child relations graph

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