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

Properties Image MNX_ID MNXM1111192 reference hmdb:HMDB0086137 formula C58H112O17P2 global charge 0 mol weight 1143.465 InChIKey MLYQCQQHWFGYCV-SAMNPIAGSA-N InChI InChI=1S/C58H112O17P2/c1-48(2)34-26-18-10-9-11-24-32-40-57(62)74-53(44-68-55(60)38-30-22-15-12-19-27-35-49(3)4)46-72-76(64,65)70-42-52(59)43-71-77(66,67)73-47-54(75-58(63)41-33-25-17-14-21-29-37-51(7)8)45-69-56(61)39-31-23-16-13-20-28-36-50(5)6/h48-54,59H,9-47H2,1-8H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 SMILES CC(C)CCCCCCCCCC(=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)CCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C58H112O17P2/c1-48(2)34-26-18-10-9-11-24-32-40-57(62)74-53(44-68-55(60)38-30-22-15-12-19-27-35-49(3)4)46-72-76(64,65)70-42-52(59)43-71-77(66,67)73-47-54(75-58(63)41-33-25-17-14-21-29-37-51(7)8)45-69-56(61)39-31-23-16-13-20-28-36-50(5)6/h48-54,59H,9-47H2,1-8H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 SMILES (mnx) [CH3:1][CH:48]([CH3:2])[CH2:34][CH2:26][CH2:18][CH2:10][CH2:9][CH2:11][CH2:24][CH2:32][CH2:40][C:57](=[O:62])[O:74][C@H:53]([CH2:44][O:68][C:55]([CH2:38][CH2:30][CH2:22][CH2:15][CH2:12][CH2:19][CH2:27][CH2:35][CH:49]([CH3:3])[CH3:4])=[O:60])[CH2:46][O:72][P:76]([OH:64])(=[O:65])[O:70][CH2:42][C@H:52]([CH2:43][O:71][P:77]([OH:66])(=[O:67])[O:73][CH2:47][C@@H:54]([CH2:45][O:69][C:56]([CH2:39][CH2:31][CH2:23][CH2:16][CH2:13][CH2:20][CH2:28][CH2:36][CH:50]([CH3:5])[CH3:6])=[O:61])[O:75][C:58]([CH2:41][CH2:33][CH2:25][CH2:17][CH2:14][CH2:21][CH2:29][CH2:37][CH:51]([CH3:7])[CH3:8])=[O:63])[OH:59]

Parent-child relations graph

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