CL(i-14:0/i-15:0/a-13:0/i-13:0)[rac]

Properties Image MNX_ID MNXM1110941 reference hmdb:HMDB0091637 formula C64H124O17P2 global charge 0 mol weight 1227.627 InChIKey WJDCNMVUKUPXMT-QDBDBAFISA-N InChI InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-22-23-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-15-18-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(50-74-61(66)44-36-28-19-14-13-17-25-33-41-55(4)5)80-63(68)46-38-30-20-12-10-11-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C64H124O17P2/c1-9-57(8)43-35-27-22-23-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-15-18-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(50-74-61(66)44-36-28-19-14-13-17-25-33-41-55(4)5)80-63(68)46-38-30-20-12-10-11-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59+,60+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:57]([CH3:8])[CH2:43][CH2:35][CH2:27][CH2:22][CH2:23][CH2:29][CH2:37][CH2:45][C:62](=[O:67])[O:75][CH2:51][C@H:60]([CH2:53][O:79][P:83]([OH:72])(=[O:73])[O:77][CH2:49][C@H:58]([CH2:48][O:76][P:82]([OH:70])(=[O:71])[O:78][CH2:52][C@@H:59]([CH2:50][O:74][C:61]([CH2:44][CH2:36][CH2:28][CH2:19][CH2:14][CH2:13][CH2:17][CH2:25][CH2:33][CH2:41][CH:55]([CH3:4])[CH3:5])=[O:66])[O:80][C:63]([CH2:46][CH2:38][CH2:30][CH2:20][CH2:12][CH2:10][CH2:11][CH2:16][CH2:24][CH2:32][CH2:40][CH:54]([CH3:2])[CH3:3])=[O:68])[OH:65])[O:81][C:64]([CH2:47][CH2:39][CH2:31][CH2:21][CH2:15][CH2:18][CH2:26][CH2:34][CH2:42][CH:56]([CH3:6])[CH3:7])=[O:69]

Parent-child relations graph

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