CL(a-13:0/18:2(9Z,11Z)/i-13:0/a-17:0)[rac]

Properties Image MNX_ID MNXM1110207 reference hmdb:HMDB0082874 formula C70H132O17P2 global charge 0 mol weight 1307.757 InChIKey JFSSADKFOAWGII-OPTXAGANSA-N InChI InChI=1S/C70H132O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-24-29-39-46-53-69(74)87-66(58-81-68(73)52-45-38-33-32-36-43-50-63(7)10-3)60-85-89(78,79)83-56-64(71)55-82-88(76,77)84-59-65(57-80-67(72)51-44-37-31-26-27-34-41-48-61(4)5)86-70(75)54-47-40-30-25-22-21-23-28-35-42-49-62(6)9-2/h15-18,61-66,71H,8-14,19-60H2,1-7H3,(H,76,77)(H,78,79)/b16-15-,18-17-/t62?,63?,64-,65-,66-/m1/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C70H132O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-24-29-39-46-53-69(74)87-66(58-81-68(73)52-45-38-33-32-36-43-50-63(7)10-3)60-85-89(78,79)83-56-64(71)55-82-88(76,77)84-59-65(57-80-67(72)51-44-37-31-26-27-34-41-48-61(4)5)86-70(75)54-47-40-30-25-22-21-23-28-35-42-49-62(6)9-2/h15-18,61-66,71H,8-14,19-60H2,1-7H3,(H,76,77)(H,78,79)/b16-15-,18-17-/t62?,63?,64-,65-,66-/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][CH2:24][CH2:29][CH2:39][CH2:46][CH2:53][C:69](=[O:74])[O:87][C@H:66]([CH2:58][O:81][C:68]([CH2:52][CH2:45][CH2:38][CH2:33][CH2:32][CH2:36][CH2:43][CH2:50][CH:63]([CH3:7])[CH2:10][CH3:3])=[O:73])[CH2:60][O:85][P:89]([OH:78])(=[O:79])[O:83][CH2:56][C@@H:64]([CH2:55][O:82][P:88]([OH:76])(=[O:77])[O:84][CH2:59][C@@H:65]([CH2:57][O:80][C:67]([CH2:51][CH2:44][CH2:37][CH2:31][CH2:26][CH2:27][CH2:34][CH2:41][CH2:48][CH:61]([CH3:4])[CH3:5])=[O:72])[O:86][C:70]([CH2:54][CH2:47][CH2:40][CH2:30][CH2:25][CH2:22][CH2:21][CH2:23][CH2:28][CH2:35][CH2:42][CH2:49][CH:62]([CH3:6])[CH2:9][CH3:2])=[O:75])[OH:71]

Parent-child relations graph

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