CL(i-14:0/a-13:0/i-12:0/i-12:0)[rac]

Properties Image MNX_ID MNXM1111229 reference hmdb:HMDB0090628 formula C60H116O17P2 global charge 0 mol weight 1171.519 InChIKey NVLCDLDYAOMFSQ-BPSWZEABSA-N InChI InChI=1S/C60H116O17P2/c1-9-53(8)39-31-23-16-19-27-35-43-60(65)77-55(46-70-57(62)40-32-24-13-11-10-12-20-28-36-50(2)3)48-74-78(66,67)72-44-54(61)45-73-79(68,69)75-49-56(76-59(64)42-34-26-18-15-22-30-38-52(6)7)47-71-58(63)41-33-25-17-14-21-29-37-51(4)5/h50-56,61H,9-49H2,1-8H3,(H,66,67)(H,68,69)/t53?,54-,55+,56+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C60H116O17P2/c1-9-53(8)39-31-23-16-19-27-35-43-60(65)77-55(46-70-57(62)40-32-24-13-11-10-12-20-28-36-50(2)3)48-74-78(66,67)72-44-54(61)45-73-79(68,69)75-49-56(76-59(64)42-34-26-18-15-22-30-38-52(6)7)47-71-58(63)41-33-25-17-14-21-29-37-51(4)5/h50-56,61H,9-49H2,1-8H3,(H,66,67)(H,68,69)/t53?,54-,55+,56+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:53]([CH3:8])[CH2:39][CH2:31][CH2:23][CH2:16][CH2:19][CH2:27][CH2:35][CH2:43][C:60](=[O:65])[O:77][C@H:55]([CH2:46][O:70][C:57]([CH2:40][CH2:32][CH2:24][CH2:13][CH2:11][CH2:10][CH2:12][CH2:20][CH2:28][CH2:36][CH:50]([CH3:2])[CH3:3])=[O:62])[CH2:48][O:74][P:78]([OH:66])(=[O:67])[O:72][CH2:44][C@@H:54]([CH2:45][O:73][P:79]([OH:68])(=[O:69])[O:75][CH2:49][C@@H:56]([CH2:47][O:71][C:58]([CH2:41][CH2:33][CH2:25][CH2:17][CH2:14][CH2:21][CH2:29][CH2:37][CH:51]([CH3:4])[CH3:5])=[O:63])[O:76][C:59]([CH2:42][CH2:34][CH2:26][CH2:18][CH2:15][CH2:22][CH2:30][CH2:38][CH:52]([CH3:6])[CH3:7])=[O:64])[OH:61]

Parent-child relations graph

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