CL(i-12:0/i-13:0/a-13:0/a-21:0)[rac]

Properties Image MNX_ID MNXM1109541 reference hmdb:HMDB0086551 formula C68H132O17P2 global charge 0 mol weight 1283.735 InChIKey XWMDLQNJMABHFS-UCBAECANSA-N InChI InChI=1S/C68H132O17P2/c1-9-60(7)46-38-30-21-17-15-13-11-12-14-16-18-22-34-42-50-67(72)84-63(55-79-66(71)49-41-33-27-25-31-39-47-61(8)10-2)56-82-86(74,75)80-52-62(69)53-81-87(76,77)83-57-64(54-78-65(70)48-40-32-26-24-29-37-45-59(5)6)85-68(73)51-43-35-23-19-20-28-36-44-58(3)4/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t60?,61?,62-,63-,64-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C68H132O17P2/c1-9-60(7)46-38-30-21-17-15-13-11-12-14-16-18-22-34-42-50-67(72)84-63(55-79-66(71)49-41-33-27-25-31-39-47-61(8)10-2)56-82-86(74,75)80-52-62(69)53-81-87(76,77)83-57-64(54-78-65(70)48-40-32-26-24-29-37-45-59(5)6)85-68(73)51-43-35-23-19-20-28-36-44-58(3)4/h58-64,69H,9-57H2,1-8H3,(H,74,75)(H,76,77)/t60?,61?,62-,63-,64-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:60]([CH3:7])[CH2:46][CH2:38][CH2:30][CH2:21][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:22][CH2:34][CH2:42][CH2:50][C:67](=[O:72])[O:84][C@H:63]([CH2:55][O:79][C:66]([CH2:49][CH2:41][CH2:33][CH2:27][CH2:25][CH2:31][CH2:39][CH2:47][CH:61]([CH3:8])[CH2:10][CH3:2])=[O:71])[CH2:56][O:82][P:86]([OH:74])(=[O:75])[O:80][CH2:52][C@H:62]([CH2:53][O:81][P:87]([OH:76])(=[O:77])[O:83][CH2:57][C@@H:64]([CH2:54][O:78][C:65]([CH2:48][CH2:40][CH2:32][CH2:26][CH2:24][CH2:29][CH2:37][CH2:45][CH:59]([CH3:5])[CH3:6])=[O:70])[O:85][C:68]([CH2:51][CH2:43][CH2:35][CH2:23][CH2:19][CH2:20][CH2:28][CH2:36][CH2:44][CH:58]([CH3:3])[CH3:4])=[O:73])[OH:69]

Parent-child relations graph

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