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

PropertiesImage
MNX_IDMNXM957994 Image of MNXM957994
referenceslm:000650379
formulaC69H109NO9P
global charge-1
mol weight1127.603
InChIKeyCBEBDIWJYDETRF-UVMGIAJPSA-M
InChIInChI=1S/C69H110NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,33-34,36-38,41,43,46-47,50,52,55,66H,4-7,9-10,12-15,22-24,31-32,35,39-40,42,44-45,48-49,51,53-54,56-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,46-43-,50-47-,55-52-/t66-/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)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C69H110NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,33-34,36-38,41,43,46-47,50,52,55,66H,4-7,9-10,12-15,22-24,31-32,35,39-40,42,44-45,48-49,51,53-54,56-65H2,1-3H3,(H,70,71)(H,74,75)/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,46-43-,50-47-,55-52-/t66-/m1/s1 Image of MNXM957994
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:73]
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:000650379
slm:000650379
CBEBDIWJYDETRF-UVMGIAJPSA-M 		1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))