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1-O-(11-methyldodecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1026259 Image of MNXM1026259
referenceslm:000718648
formulaC72H119NO8P
global charge-1
mol weight1157.717
InChIKeyOEVRDTZPNIUDHG-SOUSGUERSA-M
InChIInChI=1S/C72H120NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51-55-59-63-72(75)81-70(67-78-65-60-56-52-48-47-49-53-57-61-69(3)4)68-80-82(76,77)79-66-64-73-71(74)62-58-54-50-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,25-26,28-29,31-32,35,37,41,43,50,54,69-70H,5-6,11-12,17-18,23-24,27,30,33-34,36,38-40,42,44-49,51-53,55-68H2,1-4H3,(H,73,74)(H,76,77)/p-1/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,32-31-,37-35-,43-41-,54-50-/t70-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCC(C)C)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/C72H120NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51-55-59-63-72(75)81-70(67-78-65-60-56-52-48-47-49-53-57-61-69(3)4)68-80-82(76,77)79-66-64-73-71(74)62-58-54-50-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,25-26,28-29,31-32,35,37,41,43,50,54,69-70H,5-6,11-12,17-18,23-24,27,30,33-34,36,38-40,42,44-49,51-53,55-68H2,1-4H3,(H,73,74)(H,76,77)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,32-31-,37-35-,43-41-,54-50-/t70-/m1/s1 Image of MNXM1026259
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:51][CH2:55][CH2:59][CH2:63][C:72](=[O:75])[O:81][C@H:70]([CH2:67][O:78][CH2:65][CH2:60][CH2:56][CH2:52][CH2:48][CH2:47][CH2:49][CH2:53][CH2:57][CH2:61][CH:69]([CH3:3])[CH3:4])[CH2:68][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:66][CH2:64][N:73]=[C:71]([CH2:62][CH2:58]/[CH:54]=[CH:50]\[CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:35]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])[OH:74]
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:000718648
slm:000718648
OEVRDTZPNIUDHG-SOUSGUERSA-M 		1-O-(11-methyldodecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-O-(11-methyldodecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-13:0(11-me)/32:6(14Z,17Z,20Z,23Z,26Z,29Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))