CL(i-12:0/i-20:0/i-12:0/i-14:0)

Properties Image MNX_ID MNXM1110564 reference hmdb:HMDB0081346 formula C67H130O17P2 global charge 0 mol weight 1269.708 InChIKey GTNSSUKQQFWFAP-WJOGUDKKSA-N InChI InChI=1S/C67H130O17P2/c1-57(2)43-35-27-19-15-13-11-9-10-12-14-16-21-33-41-49-66(71)83-62(53-77-64(69)47-39-31-25-23-29-37-45-59(5)6)55-81-85(73,74)79-51-61(68)52-80-86(75,76)82-56-63(54-78-65(70)48-40-32-26-24-30-38-46-60(7)8)84-67(72)50-42-34-22-18-17-20-28-36-44-58(3)4/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t61-,62+,63+/m0/s1 SMILES CC(C)CCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C67H130O17P2/c1-57(2)43-35-27-19-15-13-11-9-10-12-14-16-21-33-41-49-66(71)83-62(53-77-64(69)47-39-31-25-23-29-37-45-59(5)6)55-81-85(73,74)79-51-61(68)52-80-86(75,76)82-56-63(54-78-65(70)48-40-32-26-24-30-38-46-60(7)8)84-67(72)50-42-34-22-18-17-20-28-36-44-58(3)4/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t61-,62+,63+/m0/s1 SMILES (mnx) [CH3:1][CH:57]([CH3:2])[CH2:43][CH2:35][CH2:27][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH2:10][CH2:12][CH2:14][CH2:16][CH2:21][CH2:33][CH2:41][CH2:49][C:66](=[O:71])[O:83][C@H:62]([CH2:53][O:77][C:64]([CH2:47][CH2:39][CH2:31][CH2:25][CH2:23][CH2:29][CH2:37][CH2:45][CH:59]([CH3:5])[CH3:6])=[O:69])[CH2:55][O:81][P:85]([OH:73])(=[O:74])[O:79][CH2:51][C@@H:61]([CH2:52][O:80][P:86]([OH:75])(=[O:76])[O:82][CH2:56][C@@H:63]([CH2:54][O:78][C:65]([CH2:48][CH2:40][CH2:32][CH2:26][CH2:24][CH2:30][CH2:38][CH2:46][CH:60]([CH3:7])[CH3:8])=[O:70])[O:84][C:67]([CH2:50][CH2:42][CH2:34][CH2:22][CH2:18][CH2:17][CH2:20][CH2:28][CH2:36][CH2:44][CH:58]([CH3:3])[CH3:4])=[O:72])[OH:68]

Parent-child relations graph

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