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1-O-octacosyl-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1038524 Image of MNXM1038524
referenceslm:000730913
formulaC64H123NO8P
global charge-1
mol weight1065.661
InChIKeyKLQYMOGOMGBFLG-LVSAOULYSA-M
InChIInChI=1S/C64H124NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-44-48-52-57-70-59-62(73-64(67)55-51-47-43-40-41-45-49-53-61(3)4)60-72-74(68,69)71-58-56-65-63(66)54-50-46-42-38-36-34-32-20-18-16-14-12-10-8-6-2/h14,16,20,32,61-62H,5-13,15,17-19,21-31,33-60H2,1-4H3,(H,65,66)(H,68,69)/p-1/b16-14-,32-20-/t62-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C64H124NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-44-48-52-57-70-59-62(73-64(67)55-51-47-43-40-41-45-49-53-61(3)4)60-72-74(68,69)71-58-56-65-63(66)54-50-46-42-38-36-34-32-20-18-16-14-12-10-8-6-2/h14,16,20,32,61-62H,5-13,15,17-19,21-31,33-60H2,1-4H3,(H,65,66)(H,68,69)/b16-14-,32-20-/t62-/m1/s1 Image of MNXM1038524
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:44][CH2:48][CH2:52][CH2:57][O:70][CH2:59][C@H:62]([CH2:60][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:58][CH2:56][N:65]=[C:63]([CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:66])[O:73][C:64]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:40][CH2:41][CH2:45][CH2:49][CH2:53][CH:61]([CH3:3])[CH3:4])=[O:67]
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:000730913
slm:000730913
KLQYMOGOMGBFLG-LVSAOULYSA-M
1-O-octacosyl-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-O-octacosyl-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-28:0/13:0-11me/18:2(9Z,12Z))