CL(i-12:0/18:2(9Z,11Z)/a-13:0/i-22:0)[rac]

Properties Image MNX_ID MNXM1108643 reference hmdb:HMDB0080470 formula C74H140O17P2 global charge 0 mol weight 1363.865 InChIKey OHPBPDQHFIEVEV-OBTMSXLZSA-N InChI InChI=1S/C74H140O17P2/c1-8-10-11-12-13-14-15-16-19-23-26-29-32-43-50-57-73(78)90-69(61-84-71(76)55-48-41-36-34-39-46-53-66(5)6)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-35-40-47-54-67(7)9-2)91-74(79)58-51-44-33-30-27-24-21-18-17-20-22-25-28-31-38-45-52-65(3)4/h14-16,19,65-70,75H,8-13,17-18,20-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,19-16-/t67?,68-,69+,70+/m0/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=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)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C74H140O17P2/c1-8-10-11-12-13-14-15-16-19-23-26-29-32-43-50-57-73(78)90-69(61-84-71(76)55-48-41-36-34-39-46-53-66(5)6)63-88-92(80,81)86-59-68(75)60-87-93(82,83)89-64-70(62-85-72(77)56-49-42-37-35-40-47-54-67(7)9-2)91-74(79)58-51-44-33-30-27-24-21-18-17-20-22-25-28-31-38-45-52-65(3)4/h14-16,19,65-70,75H,8-13,17-18,20-64H2,1-7H3,(H,80,81)(H,82,83)/b15-14-,19-16-/t67?,68-,69+,70+/m0/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:19]/[CH2:23][CH2:26][CH2:29][CH2:32][CH2:43][CH2:50][CH2:57][C:73](=[O:78])[O:90][C@H:69]([CH2:61][O:84][C:71]([CH2:55][CH2:48][CH2:41][CH2:36][CH2:34][CH2:39][CH2:46][CH2:53][CH:66]([CH3:5])[CH3:6])=[O:76])[CH2:63][O:88][P:92]([OH:80])(=[O:81])[O:86][CH2:59][C@@H:68]([CH2:60][O:87][P:93]([OH:82])(=[O:83])[O:89][CH2:64][C@@H:70]([CH2:62][O:85][C:72]([CH2:56][CH2:49][CH2:42][CH2:37][CH2:35][CH2:40][CH2:47][CH2:54][CH:67]([CH3:7])[CH2:9][CH3:2])=[O:77])[O:91][C:74]([CH2:58][CH2:51][CH2:44][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:17][CH2:20][CH2:22][CH2:25][CH2:28][CH2:31][CH2:38][CH2:45][CH2:52][CH:65]([CH3:3])[CH3:4])=[O:79])[OH:75]

Parent-child relations graph

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