CL(a-13:0/a-15:0/i-13:0/18:2(9Z,11Z))[rac]

Properties Image MNX_ID MNXM1110875 reference hmdb:HMDB0085963 formula C68H128O17P2 global charge 0 mol weight 1279.703 InChIKey LLBLQDYATYHZDI-DEKGVSOUSA-N InChI InChI=1S/C68H128O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-21-27-37-44-51-67(72)84-63(55-78-65(70)49-42-35-29-24-25-32-39-46-59(4)5)57-82-86(74,75)80-53-62(69)54-81-87(76,77)83-58-64(56-79-66(71)50-43-36-31-30-34-41-48-61(7)10-3)85-68(73)52-45-38-28-23-22-26-33-40-47-60(6)9-2/h15-18,59-64,69H,8-14,19-58H2,1-7H3,(H,74,75)(H,76,77)/b16-15-,18-17-/t60?,61?,62-,63-,64-/m1/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C68H128O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-21-27-37-44-51-67(72)84-63(55-78-65(70)49-42-35-29-24-25-32-39-46-59(4)5)57-82-86(74,75)80-53-62(69)54-81-87(76,77)83-58-64(56-79-66(71)50-43-36-31-30-34-41-48-61(7)10-3)85-68(73)52-45-38-28-23-22-26-33-40-47-60(6)9-2/h15-18,59-64,69H,8-14,19-58H2,1-7H3,(H,74,75)(H,76,77)/b16-15-,18-17-/t60?,61?,62-,63-,64-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH:17]=[CH:18]/[CH2:19][CH2:20][CH2:21][CH2:27][CH2:37][CH2:44][CH2:51][C:67](=[O:72])[O:84][C@H:63]([CH2:55][O:78][C:65]([CH2:49][CH2:42][CH2:35][CH2:29][CH2:24][CH2:25][CH2:32][CH2:39][CH2:46][CH:59]([CH3:4])[CH3:5])=[O:70])[CH2:57][O:82][P:86]([OH:74])(=[O:75])[O:80][CH2:53][C@H:62]([CH2:54][O:81][P:87]([OH:76])(=[O:77])[O:83][CH2:58][C@@H:64]([CH2:56][O:79][C:66]([CH2:50][CH2:43][CH2:36][CH2:31][CH2:30][CH2:34][CH2:41][CH2:48][CH:61]([CH3:7])[CH2:10][CH3:3])=[O:71])[O:85][C:68]([CH2:52][CH2:45][CH2:38][CH2:28][CH2:23][CH2:22][CH2:26][CH2:33][CH2:40][CH2:47][CH:60]([CH3:6])[CH2:9][CH3:2])=[O:73])[OH:69]

Parent-child relations graph

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