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

Properties Image MNX_ID MNXM939175 reference slm:000631560 formula C85H133NO9P global charge -1 mol weight 1343.971 InChIKey BCHITVSPPZHTIO-GVHLFSRZSA-M InChI InChI=1S/C85H134NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-44-45-46-47-50-52-55-58-61-64-67-70-73-76-84(88)92-80-82(95-85(89)77-74-71-68-65-62-59-56-53-49-33-30-27-24-21-18-15-12-9-6-3)81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-51-48-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-35,37-38,48-49,51,53,57,59-60,62,66,68-69,71,82H,4-6,13-15,22-24,31-33,36,39-47,50,52,54-56,58,61,63-65,67,70,72-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,38-37-,51-48-,53-49-,60-57-,62-59-,69-66-,71-68-/t82-/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)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/C85H134NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-44-45-46-47-50-52-55-58-61-64-67-70-73-76-84(88)92-80-82(95-85(89)77-74-71-68-65-62-59-56-53-49-33-30-27-24-21-18-15-12-9-6-3)81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-51-48-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-35,37-38,48-49,51,53,57,59-60,62,66,68-69,71,82H,4-6,13-15,22-24,31-33,36,39-47,50,52,54-56,58,61,63-65,67,70,72-81H2,1-3H3,(H,86,87)(H,90,91)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,38-37-,51-48-,53-49-,60-57-,62-59-,69-66-,71-68-/t82-/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:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:50][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][C:84](=[O:88])[O:92][CH2:80][C@H:82]([CH2:81][O:94][P:96]([OH:90])(=[O:91])[O:93][CH2:79][CH2:78][N:86]=[C:83]([CH2:75][CH2:72]/[CH:69]=[CH:66]\[CH2:63]/[CH:60]=[CH:57]\[CH2:54]/[CH:51]=[CH:48]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:87])[O:95][C:85]([CH2:77][CH2:74]/[CH:71]=[CH:68]\[CH2:65]/[CH:62]=[CH:59]\[CH2:56]/[CH:53]=[CH:49]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:89]

Parent-child relations graph

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