CL(i-12:0/18:2(9Z,11Z)/i-13:0/i-14:0)

Properties Image MNX_ID MNXM1110414 reference hmdb:HMDB0080425 formula C66H124O17P2 global charge 0 mol weight 1251.649 InChIKey DEVOVZZZICNGLQ-JWAZBTTOSA-N InChI InChI=1S/C66H124O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-19-25-35-42-49-65(70)82-62(54-77-64(69)48-41-34-29-28-32-39-46-59(6)7)56-81-85(74,75)79-52-60(67)51-78-84(72,73)80-55-61(53-76-63(68)47-40-33-27-22-24-31-38-45-58(4)5)83-66(71)50-43-36-26-21-20-23-30-37-44-57(2)3/h13-16,57-62,67H,8-12,17-56H2,1-7H3,(H,72,73)(H,74,75)/b14-13-,16-15-/t60-,61-,62-/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)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C66H124O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-19-25-35-42-49-65(70)82-62(54-77-64(69)48-41-34-29-28-32-39-46-59(6)7)56-81-85(74,75)79-52-60(67)51-78-84(72,73)80-55-61(53-76-63(68)47-40-33-27-22-24-31-38-45-58(4)5)83-66(71)50-43-36-26-21-20-23-30-37-44-57(2)3/h13-16,57-62,67H,8-12,17-56H2,1-7H3,(H,72,73)(H,74,75)/b14-13-,16-15-/t60-,61-,62-/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][CH2:19][CH2:25][CH2:35][CH2:42][CH2:49][C:65](=[O:70])[O:82][C@H:62]([CH2:54][O:77][C:64]([CH2:48][CH2:41][CH2:34][CH2:29][CH2:28][CH2:32][CH2:39][CH2:46][CH:59]([CH3:6])[CH3:7])=[O:69])[CH2:56][O:81][P:85]([OH:74])(=[O:75])[O:79][CH2:52][C@@H:60]([CH2:51][O:78][P:84]([OH:72])(=[O:73])[O:80][CH2:55][C@@H:61]([CH2:53][O:76][C:63]([CH2:47][CH2:40][CH2:33][CH2:27][CH2:22][CH2:24][CH2:31][CH2:38][CH2:45][CH:58]([CH3:4])[CH3:5])=[O:68])[O:83][C:66]([CH2:50][CH2:43][CH2:36][CH2:26][CH2:21][CH2:20][CH2:23][CH2:30][CH2:37][CH2:44][CH:57]([CH3:2])[CH3:3])=[O:71])[OH:67]

Parent-child relations graph

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