CL(a-13:0/a-17:0/a-13:0/i-22:0)[rac]

Properties Image MNX_ID MNXM1108719 reference hmdb:HMDB0079545 formula C74H144O17P2 global charge 0 mol weight 1367.897 InChIKey KRUYCZKFBXWUMX-DIHVZKTASA-N InChI InChI=1S/C74H144O17P2/c1-9-65(6)51-43-35-27-23-20-21-25-29-41-49-57-74(79)91-70(61-85-72(77)55-47-39-33-31-37-45-53-67(8)11-3)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(60-84-71(76)54-46-38-32-30-36-44-52-66(7)10-2)90-73(78)56-48-40-28-24-19-17-15-13-12-14-16-18-22-26-34-42-50-64(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t65?,66?,67?,68-,69-,70-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)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/C74H144O17P2/c1-9-65(6)51-43-35-27-23-20-21-25-29-41-49-57-74(79)91-70(61-85-72(77)55-47-39-33-31-37-45-53-67(8)11-3)63-89-93(82,83)87-59-68(75)58-86-92(80,81)88-62-69(60-84-71(76)54-46-38-32-30-36-44-52-66(7)10-2)90-73(78)56-48-40-28-24-19-17-15-13-12-14-16-18-22-26-34-42-50-64(4)5/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t65?,66?,67?,68-,69-,70-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:65]([CH3:6])[CH2:51][CH2:43][CH2:35][CH2:27][CH2:23][CH2:20][CH2:21][CH2:25][CH2:29][CH2:41][CH2:49][CH2:57][C:74](=[O:79])[O:91][C@H:70]([CH2:61][O:85][C:72]([CH2:55][CH2:47][CH2:39][CH2:33][CH2:31][CH2:37][CH2:45][CH2:53][CH:67]([CH3:8])[CH2:11][CH3:3])=[O:77])[CH2:63][O:89][P:93]([OH:82])(=[O:83])[O:87][CH2:59][C@@H:68]([CH2:58][O:86][P:92]([OH:80])(=[O:81])[O:88][CH2:62][C@@H:69]([CH2:60][O:84][C:71]([CH2:54][CH2:46][CH2:38][CH2:32][CH2:30][CH2:36][CH2:44][CH2:52][CH:66]([CH3:7])[CH2:10][CH3:2])=[O:76])[O:90][C:73]([CH2:56][CH2:48][CH2:40][CH2:28][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:12][CH2:14][CH2:16][CH2:18][CH2:22][CH2:26][CH2:34][CH2:42][CH2:50][CH:64]([CH3:4])[CH3:5])=[O:78])[OH:75]

Parent-child relations graph

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