N-(2-hydroxy-hexanoyl)-sphinganine

Properties Image MNX_ID MNXM158276 reference chebi:83248 formula C24H49NO4 global charge 0 mol weight 415.659 InChIKey IBQAJPHETRMPLD-ZVTBYLAHSA-N InChI InChI=1S/C24H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(27)21(20-26)25-24(29)23(28)18-6-4-2/h21-23,26-28H,3-20H2,1-2H3,(H,25,29)/t21-,22+,23?/m0/s1 SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCC MNX internals InChI (mnx) InChI=1/C24H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(27)21(20-26)25-24(29)23(28)18-6-4-2/h21-23,26-28H,3-20H2,1-2H3,(H,25,29)/t21-,22+,23?/m0/s1 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][CH2:16][CH2:17][CH2:19][C@H:22]([C@H:21]([CH2:20][OH:26])[N:25]=[C:24]([CH:23]([CH2:18][CH2:6][CH2:4][CH3:2])[OH:28])[OH:29])[OH:27]

Parent-child relations graph

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