CL(i-12:0/i-15:0/i-12:0/i-13:0)

Properties Image MNX_ID MNXM1111251 reference hmdb:HMDB0087430 formula C61H118O17P2 global charge 0 mol weight 1185.546 InChIKey PDYHBCJMRCRTDP-XSJPGQJYSA-N InChI InChI=1S/C61H118O17P2/c1-51(2)37-29-21-13-10-9-11-15-27-35-43-60(65)77-56(47-71-58(63)41-33-25-19-17-23-31-39-53(5)6)49-75-79(67,68)73-45-55(62)46-74-80(69,70)76-50-57(48-72-59(64)42-34-26-20-18-24-32-40-54(7)8)78-61(66)44-36-28-16-12-14-22-30-38-52(3)4/h51-57,62H,9-50H2,1-8H3,(H,67,68)(H,69,70)/t55-,56+,57+/m0/s1 SMILES CC(C)CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)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/C61H118O17P2/c1-51(2)37-29-21-13-10-9-11-15-27-35-43-60(65)77-56(47-71-58(63)41-33-25-19-17-23-31-39-53(5)6)49-75-79(67,68)73-45-55(62)46-74-80(69,70)76-50-57(48-72-59(64)42-34-26-20-18-24-32-40-54(7)8)78-61(66)44-36-28-16-12-14-22-30-38-52(3)4/h51-57,62H,9-50H2,1-8H3,(H,67,68)(H,69,70)/t55-,56+,57+/m0/s1 SMILES (mnx) [CH3:1][CH:51]([CH3:2])[CH2:37][CH2:29][CH2:21][CH2:13][CH2:10][CH2:9][CH2:11][CH2:15][CH2:27][CH2:35][CH2:43][C:60](=[O:65])[O:77][C@H:56]([CH2:47][O:71][C:58]([CH2:41][CH2:33][CH2:25][CH2:19][CH2:17][CH2:23][CH2:31][CH2:39][CH:53]([CH3:5])[CH3:6])=[O:63])[CH2:49][O:75][P:79]([OH:67])(=[O:68])[O:73][CH2:45][C@@H:55]([CH2:46][O:74][P:80]([OH:69])(=[O:70])[O:76][CH2:50][C@@H:57]([CH2:48][O:72][C:59]([CH2:42][CH2:34][CH2:26][CH2:20][CH2:18][CH2:24][CH2:32][CH2:40][CH:54]([CH3:7])[CH3:8])=[O:64])[O:78][C:61]([CH2:44][CH2:36][CH2:28][CH2:16][CH2:12][CH2:14][CH2:22][CH2:30][CH2:38][CH:52]([CH3:3])[CH3:4])=[O:66])[OH:62]

Parent-child relations graph

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