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1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM955877 Image of MNXM955877
referenceslm:000648262
formulaC69H109NO9P
global charge-1
mol weight1127.603
InChIKeyMOLFMSWMTZRASZ-AWXFEYHHSA-M
InChIInChI=1S/C69H110NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-38-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,40-41,44-45,48,50,53,66H,4-7,9-10,12-15,22-24,30-31,35,39,42-43,46-47,49,51-52,54-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-34-,38-27-,40-37-,44-41-,48-45-,53-50-/t66-/m1/s1
SMILESCC/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)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C69H110NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-38-27-24-21-18-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-29,32-34,36-38,40-41,44-45,48,50,53,66H,4-7,9-10,12-15,22-24,30-31,35,39,42-43,46-47,49,51-52,54-65H2,1-3H3,(H,70,71)(H,74,75)/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-34-,38-27-,40-37-,44-41-,48-45-,53-50-/t66-/m1/s1 Image of MNXM955877
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:73])[O:79][C@H:66]([CH2:64][O:76][C:68]([CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:38]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72])[CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:41]\[CH2:39]/[CH:36]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:71]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000648262
slm:000648262
MOLFMSWMTZRASZ-AWXFEYHHSA-M 		1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/24:4(9Z,12Z,15Z,18Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))