Inositol-1-phospho-N-(tetracosanoyl)-4R-hydroxysphinganine

Properties Image MNX_ID MNXM159926 reference slm:000508936 formula C48H95NO12P global charge -1 mol weight 909.257 InChIKey OBGQZGVSCDFIHI-UNBICIHQSA-M InChI InChI=1S/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(51)49-39(38-60-62(58,59)61-48-46(56)44(54)43(53)45(55)47(48)57)42(52)40(50)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42-48,50,52-57H,3-38H2,1-2H3,(H,49,51)(H,58,59)/p-1/t39-,40+,42-,43-,44-,45+,46+,47+,48-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(51)49-39(38-60-62(58,59)61-48-46(56)44(54)43(53)45(55)47(48)57)42(52)40(50)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42-48,50,52-57H,3-38H2,1-2H3,(H,49,51)(H,58,59)/t39-,40+,42-,43-,44-,45+,46+,47+,48-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:41](=[N:49][C@@H:39]([CH2:38][O:60][P:62]([OH:58])(=[O:59])[O:61][C@H:48]1[C@H:46]([OH:56])[C@@H:44]([OH:54])[C@H:43]([OH:53])[C@@H:45]([OH:55])[C@H:47]1[OH:57])[C@@H:42]([C@@H:40]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:50])[OH:52])[OH:51]

Parent-child relations graph

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