CL(a-13:0/i-14:0/i-13:0/18:2(9Z,11Z))[rac]

Properties Image MNX_ID MNXM1110851 reference hmdb:HMDB0085236 formula C67H126O17P2 global charge 0 mol weight 1265.676 InChIKey OOFZICUSVQMSSB-QWGSRJEWSA-N InChI InChI=1S/C67H126O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-20-26-36-43-50-66(71)83-62(54-77-64(69)48-41-34-28-23-25-32-39-46-59(5)6)56-81-85(73,74)79-52-61(68)53-80-86(75,76)82-57-63(55-78-65(70)49-42-35-30-29-33-40-47-60(7)9-2)84-67(72)51-44-37-27-22-21-24-31-38-45-58(3)4/h14-17,58-63,68H,8-13,18-57H2,1-7H3,(H,73,74)(H,75,76)/b15-14-,17-16-/t60?,61-,62-,63-/m1/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)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C67H126O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-20-26-36-43-50-66(71)83-62(54-77-64(69)48-41-34-28-23-25-32-39-46-59(5)6)56-81-85(73,74)79-52-61(68)53-80-86(75,76)82-57-63(55-78-65(70)49-42-35-30-29-33-40-47-60(7)9-2)84-67(72)51-44-37-27-22-21-24-31-38-45-58(3)4/h14-17,58-63,68H,8-13,18-57H2,1-7H3,(H,73,74)(H,75,76)/b15-14-,17-16-/t60?,61-,62-,63-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:17]/[CH2:18][CH2:19][CH2:20][CH2:26][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][CH2:28][CH2:23][CH2:25][CH2:32][CH2:39][CH2:46][CH:59]([CH3:5])[CH3:6])=[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][CH2:29][CH2:33][CH2:40][CH2:47][CH:60]([CH3:7])[CH2:9][CH3:2])=[O:70])[O:84][C:67]([CH2:51][CH2:44][CH2:37][CH2:27][CH2:22][CH2:21][CH2:24][CH2:31][CH2:38][CH2:45][CH:58]([CH3:3])[CH3:4])=[O:72])[OH:68]

Parent-child relations graph

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