CL(i-12:0/a-17:0/i-12:0/i-22:0)[rac]

Properties Image MNX_ID MNXM1111502 reference hmdb:HMDB0088426 formula C72H140O17P2 global charge 0 mol weight 1339.843 InChIKey MIQJXIWYOOLIEO-CNXFOIRDSA-N InChI InChI=1S/C72H140O17P2/c1-9-65(8)51-43-35-25-21-18-19-23-27-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-29-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(58-82-69(74)52-44-36-30-28-33-41-49-63(4)5)88-71(76)54-46-38-26-22-17-15-13-11-10-12-14-16-20-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C72H140O17P2/c1-9-65(8)51-43-35-25-21-18-19-23-27-39-47-55-72(77)89-68(59-83-70(75)53-45-37-31-29-34-42-50-64(6)7)61-87-91(80,81)85-57-66(73)56-84-90(78,79)86-60-67(58-82-69(74)52-44-36-30-28-33-41-49-63(4)5)88-71(76)54-46-38-26-22-17-15-13-11-10-12-14-16-20-24-32-40-48-62(2)3/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t65?,66-,67-,68-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:65]([CH3:8])[CH2:51][CH2:43][CH2:35][CH2:25][CH2:21][CH2:18][CH2:19][CH2:23][CH2:27][CH2:39][CH2:47][CH2:55][C:72](=[O:77])[O:89][C@H:68]([CH2:59][O:83][C:70]([CH2:53][CH2:45][CH2:37][CH2:31][CH2:29][CH2:34][CH2:42][CH2:50][CH:64]([CH3:6])[CH3:7])=[O:75])[CH2:61][O:87][P:91]([OH:80])(=[O:81])[O:85][CH2:57][C@@H:66]([CH2:56][O:84][P:90]([OH:78])(=[O:79])[O:86][CH2:60][C@@H:67]([CH2:58][O:82][C:69]([CH2:52][CH2:44][CH2:36][CH2:30][CH2:28][CH2:33][CH2:41][CH2:49][CH:63]([CH3:4])[CH3:5])=[O:74])[O:88][C:71]([CH2:54][CH2:46][CH2:38][CH2:26][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:16][CH2:20][CH2:24][CH2:32][CH2:40][CH2:48][CH:62]([CH3:2])[CH3:3])=[O:76])[OH:73]

Parent-child relations graph

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