1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

Properties Image MNX_ID MNXM939007 reference slm:000631392 formula C81H129NO9P global charge -1 mol weight 1291.895 InChIKey NUQWPMPQBUDGJB-XGEAYYMJSA-M InChI InChI=1S/C81H130NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-50-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-51-48-46-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-33,35-36,46,48,50,53,56,58,61-62,65,78H,4-6,13-15,22-24,30-31,34,37-45,47,49,51-52,54-55,57,59-60,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-35-,48-46-,50-27-,56-53-,61-58-,65-62-/t78-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC MNX internals InChI (mnx) InChI=1/C81H130NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-50-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-51-48-46-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-33,35-36,46,48,50,53,56,58,61-62,65,78H,4-6,13-15,22-24,30-31,34,37-45,47,49,51-52,54-55,57,59-60,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-35-,48-46-,50-27-,56-53-,61-58-,65-62-/t78-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:49][CH2:52][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][C:80](=[O:84])[O:88][CH2:76][C@H:78]([CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68]/[CH:65]=[CH:62]\[CH2:59]/[CH:56]=[CH:53]\[CH2:51]/[CH:48]=[CH:46]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:50]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:85]

Parent-child relations graph

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