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1-(6Z,9Z,12Z-octadecatrienoyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM955929 Image of MNXM955929
referenceslm:000648314
formulaC69H121NO9P
global charge-1
mol weight1139.699
InChIKeyUBKFMUOFZPMGPD-RRDDNJCSSA-M
InChIInChI=1S/C69H122NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-40-25-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-21-18-15-12-9-6-3/h16-17,19-20,24-26,28-29,31-32,40,45,48,66H,4-15,18,21-23,27,30,33-39,41-44,46-47,49-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b19-16-,20-17-,26-24-,29-28-,32-31-,40-25-,48-45-/t66-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H122NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-40-25-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-21-18-15-12-9-6-3/h16-17,19-20,24-26,28-29,31-32,40,45,48,66H,4-15,18,21-23,27,30,33-39,41-44,46-47,49-65H2,1-3H3,(H,70,71)(H,74,75)/b19-16-,20-17-,26-24-,29-28-,32-31-,40-25-,48-45-/t66-/m1/s1 Image of MNXM955929
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][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:40]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[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][CH2:53][CH2:50][CH2:47][CH2:44][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[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:000648314
slm:000648314
UBKFMUOFZPMGPD-RRDDNJCSSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/32:4(17Z,20Z,23Z,26Z)/14:0)