Cer(t18:1(6OH)/22:0(2OH))

Properties Image MNX_ID MNXM1131458 reference lipidmapsM:LMSP02010187 formula C40H79NO5 global charge 0 mol weight 654.074 InChIKey PHGWZKDCCSVPJI-ONBIGMMKSA-N InChI InChI=1S/C40H79NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-39(45)40(46)41-37(35-42)38(44)34-33-36(43)31-29-27-25-23-14-12-10-8-6-4-2/h33-34,36-39,42-45H,3-32,35H2,1-2H3,(H,41,46)/b34-33+/t36-,37+,38-,39?/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H79NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-39(45)40(46)41-37(35-42)38(44)34-33-36(43)31-29-27-25-23-14-12-10-8-6-4-2/h33-34,36-39,42-45H,3-32,35H2,1-2H3,(H,41,46)/b34-33+/t36-,37+,38-,39?/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH:39]([C:40](=[N:41][C@@H:37]([CH2:35][OH:42])[C@@H:38](/[CH:34]=[CH:33]/[C@@H:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:43])[OH:44])[OH:46])[OH:45]

Parent-child relations graph

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