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

Properties Image MNX_ID MNXM1111280 reference hmdb:HMDB0086496 formula C59H114O17P2 global charge 0 mol weight 1157.492 InChIKey IDKMXEGPGXTNOB-SQTUBTBJSA-N InChI InChI=1S/C59H114O17P2/c1-49(2)35-27-19-11-9-13-23-31-39-56(61)69-45-55(76-59(64)42-34-26-18-16-22-30-38-52(7)8)48-74-78(67,68)72-44-53(60)43-71-77(65,66)73-47-54(46-70-57(62)40-32-24-17-15-21-29-37-51(5)6)75-58(63)41-33-25-14-10-12-20-28-36-50(3)4/h49-55,60H,9-48H2,1-8H3,(H,65,66)(H,67,68)/t53-,54+,55+/m0/s1 SMILES CC(C)CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C59H114O17P2/c1-49(2)35-27-19-11-9-13-23-31-39-56(61)69-45-55(76-59(64)42-34-26-18-16-22-30-38-52(7)8)48-74-78(67,68)72-44-53(60)43-71-77(65,66)73-47-54(46-70-57(62)40-32-24-17-15-21-29-37-51(5)6)75-58(63)41-33-25-14-10-12-20-28-36-50(3)4/h49-55,60H,9-48H2,1-8H3,(H,65,66)(H,67,68)/t53-,54+,55+/m0/s1 SMILES (mnx) [CH3:1][CH:49]([CH3:2])[CH2:35][CH2:27][CH2:19][CH2:11][CH2:9][CH2:13][CH2:23][CH2:31][CH2:39][C:56](=[O:61])[O:69][CH2:45][C@H:55]([CH2:48][O:74][P:78]([OH:67])(=[O:68])[O:72][CH2:44][C@H:53]([CH2:43][O:71][P:77]([OH:65])(=[O:66])[O:73][CH2:47][C@@H:54]([CH2:46][O:70][C:57]([CH2:40][CH2:32][CH2:24][CH2:17][CH2:15][CH2:21][CH2:29][CH2:37][CH:51]([CH3:5])[CH3:6])=[O:62])[O:75][C:58]([CH2:41][CH2:33][CH2:25][CH2:14][CH2:10][CH2:12][CH2:20][CH2:28][CH2:36][CH:50]([CH3:3])[CH3:4])=[O:63])[OH:60])[O:76][C:59]([CH2:42][CH2:34][CH2:26][CH2:18][CH2:16][CH2:22][CH2:30][CH2:38][CH:52]([CH3:7])[CH3:8])=[O:64]

Parent-child relations graph

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