CL(18:2(9Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))

Properties Image MNX_ID MNXM1112370 reference hmdb:HMDB0111838 formula C85H142O17P2 global charge 0 mol weight 1498.002 InChIKey ADIHEZUFKTVYBE-OLBFSMECSA-N InChI InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-44,47-48,55-56,59-60,79-81,86H,5-20,24,29-31,39-40,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,41-35-,42-36-,47-43-,48-44-,59-55-,60-56-/t79-,80-,81-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C=C/CCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,41-44,47-48,55-56,59-60,79-81,86H,5-20,24,29-31,39-40,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,41-35-,42-36-,47-43-,48-44-,59-55-,60-56-/t79-,80-,81-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:39]/[CH:43]=[CH:47]\[CH2:51]/[CH:55]=[CH:59]\[CH2:63][CH2:67][CH2:71][C:84](=[O:89])[O:101][C@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:41]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][C@H:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46]/[CH:42]=[CH:36]\[CH:32]=[CH:28]/[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:88])[O:102][C:85]([CH2:72][CH2:68][CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:44]\[CH2:40]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[OH:86]

Parent-child relations graph

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