1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

Properties Image MNX_ID MNXM965131 reference slm:000657516 formula C91H147NO9P global charge -1 mol weight 1430.149 InChIKey JKONKXJCNFBZRI-HGTQBELYSA-M InChI InChI=1S/C91H148NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-44-45-47-49-51-53-56-59-62-65-68-71-74-77-80-83-91(95)101-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-60-57-54-33-30-27-24-21-18-15-12-9-6-3)86-98-90(94)82-79-76-73-70-67-64-61-58-55-52-50-48-46-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-37,40-42,44-46,54,57,63,66,72,75,88H,4-6,8,11,13-15,22-24,31-33,38-39,43,47-53,55-56,58-62,64-65,67-71,73-74,76-87H2,1-3H3,(H,92,93)(H,96,97)/p-1/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,37-35-,42-40-,45-44-,46-41-,57-54-,66-63-,75-72-/t88-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C91H148NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-44-45-47-49-51-53-56-59-62-65-68-71-74-77-80-83-91(95)101-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-60-57-54-33-30-27-24-21-18-15-12-9-6-3)86-98-90(94)82-79-76-73-70-67-64-61-58-55-52-50-48-46-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-37,40-42,44-46,54,57,63,66,72,75,88H,4-6,8,11,13-15,22-24,31-33,38-39,43,47-53,55-56,58-62,64-65,67-71,73-74,76-87H2,1-3H3,(H,92,93)(H,96,97)/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,37-35-,42-40-,45-44-,46-41-,57-54-,66-63-,75-72-/t88-/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:40]=[CH:42]\[CH2:43]/[CH:44]=[CH:45]\[CH2:47][CH2:49][CH2:51][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][CH2:77][CH2:80][CH2:83][C:91](=[O:95])[O:101][C@H:88]([CH2:86][O:98][C:90]([CH2:82][CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:50][CH2:48]/[CH:46]=[CH:41]\[CH2:39]/[CH:37]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:94])[CH2:87][O:100][P:102]([OH:96])(=[O:97])[O:99][CH2:85][CH2:84][N:92]=[C:89]([CH2:81][CH2:78]/[CH:75]=[CH:72]\[CH2:69]/[CH:66]=[CH:63]\[CH2:60]/[CH:57]=[CH:54]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:93]

Parent-child relations graph

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