CL(i-12:0/i-20:0/i-12:0/i-21:0)

Properties Image MNX_ID MNXM1110576 reference hmdb:HMDB0081356 formula C74H144O17P2 global charge 0 mol weight 1367.897 InChIKey NKIGUPLVQFWDPF-CRUFNAILSA-N InChI InChI=1S/C74H144O17P2/c1-64(2)50-42-34-26-22-18-14-10-9-11-16-20-24-28-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-30-36-44-52-66(5)6)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-31-37-45-53-67(7)8)91-74(79)57-49-41-29-25-21-17-13-12-15-19-23-27-35-43-51-65(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1 SMILES CC(C)CCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C74H144O17P2/c1-64(2)50-42-34-26-22-18-14-10-9-11-16-20-24-28-40-48-56-73(78)90-69(60-84-71(76)54-46-38-32-30-36-44-52-66(5)6)62-88-92(80,81)86-58-68(75)59-87-93(82,83)89-63-70(61-85-72(77)55-47-39-33-31-37-45-53-67(7)8)91-74(79)57-49-41-29-25-21-17-13-12-15-19-23-27-35-43-51-65(3)4/h64-70,75H,9-63H2,1-8H3,(H,80,81)(H,82,83)/t68-,69-,70-/m1/s1 SMILES (mnx) [CH3:1][CH:64]([CH3:2])[CH2:50][CH2:42][CH2:34][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:9][CH2:11][CH2:16][CH2:20][CH2:24][CH2:28][CH2:40][CH2:48][CH2:56][C:73](=[O:78])[O:90][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]([CH3:5])[CH3:6])=[O:76])[CH2:62][O:88][P:92]([OH:80])(=[O:81])[O:86][CH2:58][C@H:68]([CH2:59][O:87][P:93]([OH:82])(=[O:83])[O:89][CH2:63][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]([CH3:7])[CH3:8])=[O:77])[O:91][C:74]([CH2:57][CH2:49][CH2:41][CH2:29][CH2:25][CH2:21][CH2:17][CH2:13][CH2:12][CH2:15][CH2:19][CH2:23][CH2:27][CH2:35][CH2:43][CH2:51][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