1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

Properties Image MNX_ID MNXM938042 reference slm:000630427 formula C85H141NO9P global charge -1 mol weight 1352.035 InChIKey JRMPMTSNXRJMRZ-PJBOUKANSA-M InChI InChI=1S/C85H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-40-41-42-43-45-46-48-50-52-55-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-27-24-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-56-53-51-49-47-44-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-35,38-39,44,47,51,53-54,82H,4-6,9,12-15,22-24,30-31,36-37,40-43,45-46,48-50,52,55-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,39-38-,47-44-,53-51-,54-27-/t82-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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)CCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C85H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-40-41-42-43-45-46-48-50-52-55-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-27-24-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-56-53-51-49-47-44-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-35,38-39,44,47,51,53-54,82H,4-6,9,12-15,22-24,30-31,36-37,40-43,45-46,48-50,52,55-81H2,1-3H3,(H,86,87)(H,90,91)/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,39-38-,47-44-,53-51-,54-27-/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]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:39]\[CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:46][CH2:48][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][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57]/[CH:54]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:87])[O:95][C:85]([CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:51]\[CH2:49]/[CH:47]=[CH:44]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:89]

Parent-child relations graph

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