CL(i-12:0/i-16:0/i-12:0/18:2(9Z,11Z))

Properties Image MNX_ID MNXM1110345 reference hmdb:HMDB0088082 formula C67H126O17P2 global charge 0 mol weight 1265.676 InChIKey IZBGCNYTJMUBKD-WEBMEVLGSA-N InChI InChI=1S/C67H126O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-22-25-36-43-50-66(71)83-62(54-77-64(69)48-41-34-29-27-32-39-46-59(4)5)56-81-85(73,74)79-52-61(68)53-80-86(75,76)82-57-63(55-78-65(70)49-42-35-30-28-33-40-47-60(6)7)84-67(72)51-44-37-26-23-20-19-21-24-31-38-45-58(2)3/h13-16,58-63,68H,8-12,17-57H2,1-7H3,(H,73,74)(H,75,76)/b14-13-,16-15-/t61-,62-,63-/m1/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C67H126O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-22-25-36-43-50-66(71)83-62(54-77-64(69)48-41-34-29-27-32-39-46-59(4)5)56-81-85(73,74)79-52-61(68)53-80-86(75,76)82-57-63(55-78-65(70)49-42-35-30-28-33-40-47-60(6)7)84-67(72)51-44-37-26-23-20-19-21-24-31-38-45-58(2)3/h13-16,58-63,68H,8-12,17-57H2,1-7H3,(H,73,74)(H,75,76)/b14-13-,16-15-/t61-,62-,63-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH:15]=[CH:16]/[CH2:17][CH2:18][CH2:22][CH2:25][CH2:36][CH2:43][CH2:50][C:66](=[O:71])[O:83][C@H:62]([CH2:54][O:77][C:64]([CH2:48][CH2:41][CH2:34][CH2:29][CH2:27][CH2:32][CH2:39][CH2:46][CH:59]([CH3:4])[CH3:5])=[O:69])[CH2:56][O:81][P:85]([OH:73])(=[O:74])[O:79][CH2:52][C@H:61]([CH2:53][O:80][P:86]([OH:75])(=[O:76])[O:82][CH2:57][C@@H:63]([CH2:55][O:78][C:65]([CH2:49][CH2:42][CH2:35][CH2:30][CH2:28][CH2:33][CH2:40][CH2:47][CH:60]([CH3:6])[CH3:7])=[O:70])[O:84][C:67]([CH2:51][CH2:44][CH2:37][CH2:26][CH2:23][CH2:20][CH2:19][CH2:21][CH2:24][CH2:31][CH2:38][CH2:45][CH:58]([CH3:2])[CH3:3])=[O:72])[OH:68]

Parent-child relations graph

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