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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM939174 Image of MNXM939174
referenceslm:000631559
formulaC81H131NO9P
global charge-1
mol weight1293.911
InChIKeyAIKMZIIICUWRCS-NPQSYVBRSA-M
InChIInChI=1S/C81H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-48-51-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-52-49-46-31-29-26-23-20-17-14-11-8-5-2)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-29,32-33,35-36,46,49-50,55,58,64,67,78H,4-6,13-15,22-24,30-31,34,37-45,47-48,51-54,56-57,59-63,65-66,68-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-35-,49-46-,50-27-,58-55-,67-64-/t78-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/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\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C81H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-48-51-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-52-49-46-31-29-26-23-20-17-14-11-8-5-2)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3/h7-12,16-21,25-29,32-33,35-36,46,49-50,55,58,64,67,78H,4-6,13-15,22-24,30-31,34,37-45,47-48,51-54,56-57,59-63,65-66,68-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-35-,49-46-,50-27-,58-55-,67-64-/t78-/m1/s1 Image of MNXM939174
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:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][C:80](=[O:84])[O:88][CH2:76][C@H:78]([CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:83])[O:91][C:81]([CH2:73][CH2:70]/[CH:67]=[CH:64]\[CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:49]=[CH:46]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:85]
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:000631559
slm:000631559
AIKMZIIICUWRCS-NPQSYVBRSA-M 		1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))