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1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM957851 Image of MNXM957851
referenceslm:000650236
formulaC69H107NO9P
global charge-1
mol weight1125.587
InChIKeyCHFNEDWIKNVLJU-STXXDWEBSA-M
InChIInChI=1S/C69H108NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-67(71)70-62-63-77-80(74,75)78-65-66(79-69(73)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-41,43-44,49-50,52-53,66H,4-6,8,11,13-15,22-24,31-32,35,38-39,42,45-48,51,54-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,52-49-,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)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C69H108NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-67(71)70-62-63-77-80(74,75)78-65-66(79-69(73)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-41,43-44,49-50,52-53,66H,4-6,8,11,13-15,22-24,31-32,35,38-39,42,45-48,51,54-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,52-49-,53-50-/t66-/m1/s1 Image of MNXM957851
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:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47]/[CH:50]=[CH:53]\[CH2:56][CH2:59][C:67](=[N:70][CH2:62][CH2:63][O:77][P:80]([OH:74])(=[O:75])[O:78][CH2:65][C@@H:66]([CH2:64][O:76][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:37]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72])[O:79][C:69]([CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:35]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:73])[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:000650236
slm:000650236
CHFNEDWIKNVLJU-STXXDWEBSA-M 		1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (22:3(10Z,13Z,16Z)/22:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))