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1-O-(11-methyldodecyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1026485 Image of MNXM1026485
referenceslm:000718874
formulaC68H121NO8P
global charge-1
mol weight1111.689
InChIKeyGQNDBVCOJGTPTH-GATPINFQSA-M
InChIInChI=1S/C68H122NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47-51-55-59-68(71)77-66(63-74-61-56-52-48-44-43-45-49-53-57-65(3)4)64-76-78(72,73)75-62-60-69-67(70)58-54-50-46-41-39-37-35-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-24,26-27,35,39,41,65-66H,5-12,17-18,22,25,28-34,36-38,40,42-64H2,1-4H3,(H,69,70)(H,72,73)/p-1/b15-13-,16-14-,21-19-,24-23-,27-26-,35-20-,41-39-/t66-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C68H122NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47-51-55-59-68(71)77-66(63-74-61-56-52-48-44-43-45-49-53-57-65(3)4)64-76-78(72,73)75-62-60-69-67(70)58-54-50-46-41-39-37-35-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-24,26-27,35,39,41,65-66H,5-12,17-18,22,25,28-34,36-38,40,42-64H2,1-4H3,(H,69,70)(H,72,73)/b15-13-,16-14-,21-19-,24-23-,27-26-,35-20-,41-39-/t66-/m1/s1 Image of MNXM1026485
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:47][CH2:51][CH2:55][CH2:59][C:68](=[O:71])[O:77][C@H:66]([CH2:63][O:74][CH2:61][CH2:56][CH2:52][CH2:48][CH2:44][CH2:43][CH2:45][CH2:49][CH2:53][CH2:57][CH:65]([CH3:3])[CH3:4])[CH2:64][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:62][CH2:60][N:69]=[C:67]([CH2:58][CH2:54][CH2:50][CH2:46]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:70]
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:000718874
slm:000718874
GQNDBVCOJGTPTH-GATPINFQSA-M
1-O-(11-methyldodecyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-(11-methyldodecyl)-2-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-13:0(11-me)/32:4(17Z,20Z,23Z,26Z)/18:3(6Z,9Z,12Z))