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

Properties Image MNX_ID MNXM1111053 reference hmdb:HMDB0086513 formula C62H120O17P2 global charge 0 mol weight 1199.573 InChIKey KQCBXXQKNDSKBW-IPCNJRPSSA-N InChI InChI=1S/C62H120O17P2/c1-52(2)38-30-22-14-10-9-11-17-28-36-44-61(66)78-57(48-72-59(64)42-34-26-18-12-15-23-31-39-53(3)4)50-76-80(68,69)74-46-56(63)47-75-81(70,71)77-51-58(49-73-60(65)43-35-27-21-20-25-33-41-55(7)8)79-62(67)45-37-29-19-13-16-24-32-40-54(5)6/h52-58,63H,9-51H2,1-8H3,(H,68,69)(H,70,71)/t56-,57-,58-/m1/s1 SMILES CC(C)CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(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/C62H120O17P2/c1-52(2)38-30-22-14-10-9-11-17-28-36-44-61(66)78-57(48-72-59(64)42-34-26-18-12-15-23-31-39-53(3)4)50-76-80(68,69)74-46-56(63)47-75-81(70,71)77-51-58(49-73-60(65)43-35-27-21-20-25-33-41-55(7)8)79-62(67)45-37-29-19-13-16-24-32-40-54(5)6/h52-58,63H,9-51H2,1-8H3,(H,68,69)(H,70,71)/t56-,57-,58-/m1/s1 SMILES (mnx) [CH3:1][CH:52]([CH3:2])[CH2:38][CH2:30][CH2:22][CH2:14][CH2:10][CH2:9][CH2:11][CH2:17][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][CH2:18][CH2:12][CH2:15][CH2:23][CH2:31][CH2:39][CH:53]([CH3:3])[CH3:4])=[O:64])[CH2:50][O:76][P:80]([OH:68])(=[O:69])[O:74][CH2:46][C@H:56]([CH2:47][O:75][P:81]([OH:70])(=[O:71])[O:77][CH2:51][C@@H:58]([CH2:49][O:73][C:60]([CH2:43][CH2:35][CH2:27][CH2:21][CH2:20][CH2:25][CH2:33][CH2:41][CH:55]([CH3:7])[CH3:8])=[O:65])[O:79][C:62]([CH2:45][CH2:37][CH2:29][CH2:19][CH2:13][CH2:16][CH2:24][CH2:32][CH2:40][CH:54]([CH3:5])[CH3:6])=[O:67])[OH:63]

Parent-child relations graph

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