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

Properties Image MNX_ID MNXM1465789 reference hmdb:HMDB0201710 formula C58H112O17P2 global charge 0 mol weight 1143.465 InChIKey ULEJOZAGLLNWPE-SAMNPIAGSA-N InChI InChI=1S/C58H112O17P2/c1-8-9-10-11-12-13-16-25-32-39-55(60)68-45-54(75-58(63)42-35-28-21-19-24-31-38-51(6)7)48-73-77(66,67)71-44-52(59)43-70-76(64,65)72-47-53(46-69-56(61)40-33-26-20-18-23-30-37-50(4)5)74-57(62)41-34-27-17-14-15-22-29-36-49(2)3/h49-54,59H,8-48H2,1-7H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 SMILES CCCCCCCCCCCC(=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/C58H112O17P2/c1-8-9-10-11-12-13-16-25-32-39-55(60)68-45-54(75-58(63)42-35-28-21-19-24-31-38-51(6)7)48-73-77(66,67)71-44-52(59)43-70-76(64,65)72-47-53(46-69-56(61)40-33-26-20-18-23-30-37-50(4)5)74-57(62)41-34-27-17-14-15-22-29-36-49(2)3/h49-54,59H,8-48H2,1-7H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:16][CH2:25][CH2:32][CH2:39][C:55](=[O:60])[O:68][CH2:45][C@H:54]([CH2:48][O:73][P:77]([OH:66])(=[O:67])[O:71][CH2:44][C@@H:52]([CH2:43][O:70][P:76]([OH:64])(=[O:65])[O:72][CH2:47][C@@H:53]([CH2:46][O:69][C:56]([CH2:40][CH2:33][CH2:26][CH2:20][CH2:18][CH2:23][CH2:30][CH2:37][CH:50]([CH3:4])[CH3:5])=[O:61])[O:74][C:57]([CH2:41][CH2:34][CH2:27][CH2:17][CH2:14][CH2:15][CH2:22][CH2:29][CH2:36][CH:49]([CH3:2])[CH3:3])=[O:62])[OH:59])[O:75][C:58]([CH2:42][CH2:35][CH2:28][CH2:21][CH2:19][CH2:24][CH2:31][CH2:38][CH:51]([CH3:6])[CH3:7])=[O:63]

Parent-child relations graph

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