CL(i-13:0/18:2(9Z,11Z)/i-12:0/i-19:0)

Properties Image MNX_ID MNXM1110535 reference hmdb:HMDB0082781 formula C71H134O17P2 global charge 0 mol weight 1321.784 InChIKey UIAICMDHFRUQGO-HROSKCHWSA-N InChI InChI=1S/C71H134O17P2/c1-8-9-10-11-12-13-14-15-16-19-22-25-30-40-47-54-70(75)87-66(58-81-68(73)52-45-38-32-27-29-36-43-50-63(4)5)60-85-89(77,78)83-56-65(72)57-84-90(79,80)86-61-67(59-82-69(74)53-46-39-34-33-37-44-51-64(6)7)88-71(76)55-48-41-31-26-23-20-17-18-21-24-28-35-42-49-62(2)3/h13-16,62-67,72H,8-12,17-61H2,1-7H3,(H,77,78)(H,79,80)/b14-13-,16-15-/t65-,66+,67+/m0/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)C)OC(=O)CCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C71H134O17P2/c1-8-9-10-11-12-13-14-15-16-19-22-25-30-40-47-54-70(75)87-66(58-81-68(73)52-45-38-32-27-29-36-43-50-63(4)5)60-85-89(77,78)83-56-65(72)57-84-90(79,80)86-61-67(59-82-69(74)53-46-39-34-33-37-44-51-64(6)7)88-71(76)55-48-41-31-26-23-20-17-18-21-24-28-35-42-49-62(2)3/h13-16,62-67,72H,8-12,17-61H2,1-7H3,(H,77,78)(H,79,80)/b14-13-,16-15-/t65-,66+,67+/m0/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH:15]=[CH:16]/[CH2:19][CH2:22][CH2:25][CH2:30][CH2:40][CH2:47][CH2:54][C:70](=[O:75])[O:87][C@H:66]([CH2:58][O:81][C:68]([CH2:52][CH2:45][CH2:38][CH2:32][CH2:27][CH2:29][CH2:36][CH2:43][CH2:50][CH:63]([CH3:4])[CH3:5])=[O:73])[CH2:60][O:85][P:89]([OH:77])(=[O:78])[O:83][CH2:56][C@@H:65]([CH2:57][O:84][P:90]([OH:79])(=[O:80])[O:86][CH2:61][C@@H:67]([CH2:59][O:82][C:69]([CH2:53][CH2:46][CH2:39][CH2:34][CH2:33][CH2:37][CH2:44][CH2:51][CH:64]([CH3:6])[CH3:7])=[O:74])[O:88][C:71]([CH2:55][CH2:48][CH2:41][CH2:31][CH2:26][CH2:23][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:28][CH2:35][CH2:42][CH2:49][CH:62]([CH3:2])[CH3:3])=[O:76])[OH:72]

Parent-child relations graph

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