CL(i-13:0/18:2(9Z,11Z)/a-13:0/a-13:0)[rac]

Properties Image MNX_ID MNXM1110838 reference hmdb:HMDB0082823 formula C66H124O17P2 global charge 0 mol weight 1251.649 InChIKey SRSJLOQNUIPLGC-IWCAGQDPSA-N InChI InChI=1S/C66H124O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-21-24-35-42-49-65(70)82-61(53-76-63(68)47-40-33-25-22-23-30-37-44-57(4)5)55-80-84(72,73)78-51-60(67)52-79-85(74,75)81-56-62(83-66(71)50-43-36-29-27-32-39-46-59(7)10-3)54-77-64(69)48-41-34-28-26-31-38-45-58(6)9-2/h15-18,57-62,67H,8-14,19-56H2,1-7H3,(H,72,73)(H,74,75)/b16-15-,18-17-/t58?,59?,60-,61+,62+/m0/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C66H124O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-21-24-35-42-49-65(70)82-61(53-76-63(68)47-40-33-25-22-23-30-37-44-57(4)5)55-80-84(72,73)78-51-60(67)52-79-85(74,75)81-56-62(83-66(71)50-43-36-29-27-32-39-46-59(7)10-3)54-77-64(69)48-41-34-28-26-31-38-45-58(6)9-2/h15-18,57-62,67H,8-14,19-56H2,1-7H3,(H,72,73)(H,74,75)/b16-15-,18-17-/t58?,59?,60-,61+,62+/m0/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH:17]=[CH:18]/[CH2:19][CH2:20][CH2:21][CH2:24][CH2:35][CH2:42][CH2:49][C:65](=[O:70])[O:82][C@H:61]([CH2:53][O:76][C:63]([CH2:47][CH2:40][CH2:33][CH2:25][CH2:22][CH2:23][CH2:30][CH2:37][CH2:44][CH:57]([CH3:4])[CH3:5])=[O:68])[CH2:55][O:80][P:84]([OH:72])(=[O:73])[O:78][CH2:51][C@@H:60]([CH2:52][O:79][P:85]([OH:74])(=[O:75])[O:81][CH2:56][C@@H:62]([CH2:54][O:77][C:64]([CH2:48][CH2:41][CH2:34][CH2:28][CH2:26][CH2:31][CH2:38][CH2:45][CH:58]([CH3:6])[CH2:9][CH3:2])=[O:69])[O:83][C:66]([CH2:50][CH2:43][CH2:36][CH2:29][CH2:27][CH2:32][CH2:39][CH2:46][CH:59]([CH3:7])[CH2:10][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