CL(i-12:0/i-20:0/a-13:0/a-15:0)[rac]

Properties Image MNX_ID MNXM1110606 reference hmdb:HMDB0081371 formula C69H134O17P2 global charge 0 mol weight 1297.762 InChIKey RUXQNVFEUACOSX-NMRGXEAOSA-N InChI InChI=1S/C69H134O17P2/c1-9-61(7)47-39-31-22-19-20-24-36-44-52-69(74)86-65(56-80-67(72)50-42-34-28-26-32-40-48-62(8)10-2)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-79-66(71)49-41-33-27-25-30-38-46-60(5)6)85-68(73)51-43-35-23-18-16-14-12-11-13-15-17-21-29-37-45-59(3)4/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t61?,62?,63-,64+,65+/m0/s1 SMILES CCC(C)CCCCCCCCCCC(=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)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C69H134O17P2/c1-9-61(7)47-39-31-22-19-20-24-36-44-52-69(74)86-65(56-80-67(72)50-42-34-28-26-32-40-48-62(8)10-2)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-79-66(71)49-41-33-27-25-30-38-46-60(5)6)85-68(73)51-43-35-23-18-16-14-12-11-13-15-17-21-29-37-45-59(3)4/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t61?,62?,63-,64+,65+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:61]([CH3:7])[CH2:47][CH2:39][CH2:31][CH2:22][CH2:19][CH2:20][CH2:24][CH2:36][CH2:44][CH2:52][C:69](=[O:74])[O:86][C@H:65]([CH2:56][O:80][C:67]([CH2:50][CH2:42][CH2:34][CH2:28][CH2:26][CH2:32][CH2:40][CH2:48][CH:62]([CH3:8])[CH2:10][CH3:2])=[O:72])[CH2:58][O:84][P:88]([OH:77])(=[O:78])[O:82][CH2:54][C@H:63]([CH2:53][O:81][P:87]([OH:75])(=[O:76])[O:83][CH2:57][C@@H:64]([CH2:55][O:79][C:66]([CH2:49][CH2:41][CH2:33][CH2:27][CH2:25][CH2:30][CH2:38][CH2:46][CH:60]([CH3:5])[CH3:6])=[O:71])[O:85][C:68]([CH2:51][CH2:43][CH2:35][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:11][CH2:13][CH2:15][CH2:17][CH2:21][CH2:29][CH2:37][CH2:45][CH:59]([CH3:3])[CH3:4])=[O:73])[OH:70]

Parent-child relations graph

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