CL(a-13:0/i-17:0/a-13:0/i-12:0)[rac]

Properties Image MNX_ID MNXM1110108 reference hmdb:HMDB0079426 formula C64H124O17P2 global charge 0 mol weight 1227.627 InChIKey LCHMWONYBWGCTD-GHQLOGTISA-N InChI InChI=1S/C64H124O17P2/c1-9-56(7)42-34-26-19-22-28-36-44-61(66)74-50-59(80-63(68)46-38-30-17-15-13-11-12-14-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-21-18-25-33-41-55(5)6)51-75-62(67)45-37-29-23-20-27-35-43-57(8)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C64H124O17P2/c1-9-56(7)42-34-26-19-22-28-36-44-61(66)74-50-59(80-63(68)46-38-30-17-15-13-11-12-14-16-24-32-40-54(3)4)52-78-82(70,71)76-48-58(65)49-77-83(72,73)79-53-60(81-64(69)47-39-31-21-18-25-33-41-55(5)6)51-75-62(67)45-37-29-23-20-27-35-43-57(8)10-2/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t56?,57?,58-,59+,60+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:56]([CH3:7])[CH2:42][CH2:34][CH2:26][CH2:19][CH2:22][CH2:28][CH2:36][CH2:44][C:61](=[O:66])[O:74][CH2:50][C@H:59]([CH2:52][O:78][P:82]([OH:70])(=[O:71])[O:76][CH2:48][C@@H:58]([CH2:49][O:77][P:83]([OH:72])(=[O:73])[O:79][CH2:53][C@@H:60]([CH2:51][O:75][C:62]([CH2:45][CH2:37][CH2:29][CH2:23][CH2:20][CH2:27][CH2:35][CH2:43][CH:57]([CH3:8])[CH2:10][CH3:2])=[O:67])[O:81][C:64]([CH2:47][CH2:39][CH2:31][CH2:21][CH2:18][CH2:25][CH2:33][CH2:41][CH:55]([CH3:5])[CH3:6])=[O:69])[OH:65])[O:80][C:63]([CH2:46][CH2:38][CH2:30][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:24][CH2:32][CH2:40][CH:54]([CH3:3])[CH3:4])=[O:68]

Parent-child relations graph

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