CL(i-12:0/i-19:0/a-13:0/i-12:0)[rac]

Properties Image MNX_ID MNXM1110512 reference hmdb:HMDB0081039 formula C65H126O17P2 global charge 0 mol weight 1241.654 InChIKey NXQDDOSJNOMQSN-KNSZLQBBSA-N InChI InChI=1S/C65H126O17P2/c1-9-58(8)44-36-28-21-24-30-38-46-63(68)76-52-61(82-65(70)48-40-32-23-20-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-22-19-26-34-42-56(4)5)81-64(69)47-39-31-18-16-14-12-10-11-13-15-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60+,61+/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)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C65H126O17P2/c1-9-58(8)44-36-28-21-24-30-38-46-63(68)76-52-61(82-65(70)48-40-32-23-20-27-35-43-57(6)7)54-80-84(73,74)78-50-59(66)49-77-83(71,72)79-53-60(51-75-62(67)45-37-29-22-19-26-34-42-56(4)5)81-64(69)47-39-31-18-16-14-12-10-11-13-15-17-25-33-41-55(2)3/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t58?,59-,60+,61+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:58]([CH3:8])[CH2:44][CH2:36][CH2:28][CH2:21][CH2:24][CH2:30][CH2:38][CH2:46][C:63](=[O:68])[O:76][CH2:52][C@H:61]([CH2:54][O:80][P:84]([OH:73])(=[O:74])[O:78][CH2:50][C@H:59]([CH2:49][O:77][P:83]([OH:71])(=[O:72])[O:79][CH2:53][C@@H:60]([CH2:51][O:75][C:62]([CH2:45][CH2:37][CH2:29][CH2:22][CH2:19][CH2:26][CH2:34][CH2:42][CH:56]([CH3:4])[CH3:5])=[O:67])[O:81][C:64]([CH2:47][CH2:39][CH2:31][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:15][CH2:17][CH2:25][CH2:33][CH2:41][CH:55]([CH3:2])[CH3:3])=[O:69])[OH:66])[O:82][C:65]([CH2:48][CH2:40][CH2:32][CH2:23][CH2:20][CH2:27][CH2:35][CH2:43][CH:57]([CH3:6])[CH3:7])=[O:70]

Parent-child relations graph

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