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

Properties Image MNX_ID MNXM1111309 reference hmdb:HMDB0090632 formula C61H118O17P2 global charge 0 mol weight 1185.546 InChIKey WEWXPWKSBPJSQR-KCPLHURXSA-N InChI InChI=1S/C61H118O17P2/c1-9-54(8)40-32-24-18-20-28-36-44-61(66)78-57(48-72-59(64)42-34-26-19-17-23-31-39-53(6)7)50-76-80(69,70)74-46-55(62)45-73-79(67,68)75-49-56(77-60(65)43-35-27-16-12-14-22-30-38-52(4)5)47-71-58(63)41-33-25-15-11-10-13-21-29-37-51(2)3/h51-57,62H,9-50H2,1-8H3,(H,67,68)(H,69,70)/t54?,55-,56+,57+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C61H118O17P2/c1-9-54(8)40-32-24-18-20-28-36-44-61(66)78-57(48-72-59(64)42-34-26-19-17-23-31-39-53(6)7)50-76-80(69,70)74-46-55(62)45-73-79(67,68)75-49-56(77-60(65)43-35-27-16-12-14-22-30-38-52(4)5)47-71-58(63)41-33-25-15-11-10-13-21-29-37-51(2)3/h51-57,62H,9-50H2,1-8H3,(H,67,68)(H,69,70)/t54?,55-,56+,57+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:54]([CH3:8])[CH2:40][CH2:32][CH2:24][CH2:18][CH2:20][CH2:28][CH2:36][CH2:44][C:61](=[O:66])[O:78][C@H:57]([CH2:48][O:72][C:59]([CH2:42][CH2:34][CH2:26][CH2:19][CH2:17][CH2:23][CH2:31][CH2:39][CH:53]([CH3:6])[CH3:7])=[O:64])[CH2:50][O:76][P:80]([OH:69])(=[O:70])[O:74][CH2:46][C@H:55]([CH2:45][O:73][P:79]([OH:67])(=[O:68])[O:75][CH2:49][C@@H:56]([CH2:47][O:71][C:58]([CH2:41][CH2:33][CH2:25][CH2:15][CH2:11][CH2:10][CH2:13][CH2:21][CH2:29][CH2:37][CH:51]([CH3:2])[CH3:3])=[O:63])[O:77][C:60]([CH2:43][CH2:35][CH2:27][CH2:16][CH2:12][CH2:14][CH2:22][CH2:30][CH2:38][CH:52]([CH3:4])[CH3:5])=[O:65])[OH:62]

Parent-child relations graph

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