1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

Properties Image MNX_ID MNXM938027 reference slm:000630412 formula C87H137NO9P global charge -1 mol weight 1372.025 InChIKey DDQOWWXSCGHRHD-LIRZMLRGSA-M InChI InChI=1S/C87H138NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-41-42-43-44-45-47-48-51-54-57-60-63-66-69-72-75-78-86(90)94-82-84(97-87(91)79-76-73-70-67-64-61-58-55-52-49-46-37-35-32-29-26-23-20-17-14-11-8-5-2)83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-53-50-33-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,34-37,39-40,49-50,52-53,58-59,61-62,68,71,84H,4-6,13-15,22-24,31-33,38,41-48,51,54-57,60,63-67,69-70,72-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,37-35-,40-39-,52-49-,53-50-,61-58-,62-59-,71-68-/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)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC MNX internals InChI (mnx) InChI=1/C87H138NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-41-42-43-44-45-47-48-51-54-57-60-63-66-69-72-75-78-86(90)94-82-84(97-87(91)79-76-73-70-67-64-61-58-55-52-49-46-37-35-32-29-26-23-20-17-14-11-8-5-2)83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-53-50-33-30-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-30,34-37,39-40,49-50,52-53,58-59,61-62,68,71,84H,4-6,13-15,22-24,31-33,38,41-48,51,54-57,60,63-67,69-70,72-83H2,1-3H3,(H,88,89)(H,92,93)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,37-35-,40-39-,52-49-,53-50-,61-58-,62-59-,71-68-/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:34]=[CH:36]\[CH2:38]/[CH:39]=[CH:40]\[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:48][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]/[CH:71]=[CH:68]\[CH2:65]/[CH:62]=[CH:59]\[CH2:56]/[CH:53]=[CH:50]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH: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:49]\[CH2:46]/[CH:37]=[CH:35]\[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