Cer(t18:1(6OH)/29:0(29OH))

Properties Image MNX_ID MNXM1131521 reference lipidmapsM:LMSP02030049 formula C47H93NO5 global charge 0 mol weight 752.263 InChIKey PLKPIYIBPVTGGN-DEETTWBFSA-N InChI InChI=1S/C47H93NO5/c1-2-3-4-5-6-7-26-29-32-35-38-44(51)40-41-46(52)45(43-50)48-47(53)39-36-33-30-27-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-28-31-34-37-42-49/h40-41,44-46,49-52H,2-39,42-43H2,1H3,(H,48,53)/b41-40+/t44-,45+,46-/m1/s1 SMILES CCCCCCCCCCCC[C@@H](O)/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO MNX internals InChI (mnx) InChI=1/C47H93NO5/c1-2-3-4-5-6-7-26-29-32-35-38-44(51)40-41-46(52)45(43-50)48-47(53)39-36-33-30-27-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-28-31-34-37-42-49/h40-41,44-46,49-52H,2-39,42-43H2,1H3,(H,48,53)/b41-40+/t44-,45+,46-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][C@H:44](/[CH:40]=[CH:41]/[C@H:46]([C@H:45]([CH2:43][OH:50])[N:48]=[C:47]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:42][OH:49])[OH:53])[OH:52])[OH:51]

Parent-child relations graph

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