1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

Properties Image MNX_ID MNXM939206 reference slm:000631591 formula C87H141NO9P global charge -1 mol weight 1376.057 InChIKey KTDSJMKHNUSLDM-QBAZDICRSA-M InChI InChI=1S/C87H142NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-48-49-51-54-57-60-63-66-69-72-75-78-86(90)94-82-84(97-87(91)79-76-73-70-67-64-61-58-55-52-50-47-36-34-32-29-26-23-20-17-14-11-8-5-2)83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-53-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,33-36,38-39,50,52,56,58-59,61,65,68,84H,4-6,9,12-15,22-24,31-32,37,40-49,51,53-55,57,60,62-64,66-67,69-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,39-38-,52-50-,59-56-,61-58-,68-65-/t84-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C87H142NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-48-49-51-54-57-60-63-66-69-72-75-78-86(90)94-82-84(97-87(91)79-76-73-70-67-64-61-58-55-52-50-47-36-34-32-29-26-23-20-17-14-11-8-5-2)83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-53-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,33-36,38-39,50,52,56,58-59,61,65,68,84H,4-6,9,12-15,22-24,31-32,37,40-49,51,53-55,57,60,62-64,66-67,69-83H2,1-3H3,(H,88,89)(H,92,93)/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,39-38-,52-50-,59-56-,61-58-,68-65-/t84-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37]/[CH:38]=[CH:39]\[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:48][CH2:49][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][CH2:78][C:86](=[O:90])[O:94][CH2:82][C@H:84]([CH2:83][O:96][P:98]([OH:92])(=[O:93])[O:95][CH2:81][CH2:80][N:88]=[C:85]([CH2:77][CH2:74][CH2:71]/[CH:68]=[CH:65]\[CH2:62]/[CH:59]=[CH:56]\[CH2:53]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:89])[O:97][C:87]([CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:52]=[CH:50]\[CH2:47]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:91]

Parent-child relations graph

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