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1-O-(13Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1046384 Image of MNXM1046384
referenceslm:000738773
formulaC51H91NO8P
global charge-1
mol weight877.262
InChIKeyHOILGPIFHOQLNS-LGOHLQEKSA-M
InChIInChI=1S/C51H92NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-28-30-32-34-37-40-43-51(54)60-49(48-59-61(55,56)58-46-44-52-50(53)42-39-36-12-9-6-3)47-57-45-41-38-35-33-31-29-27-24-22-20-18-16-14-11-8-5-2/h14-17,21,23,26,28,32,34,49H,4-13,18-20,22,24-25,27,29-31,33,35-48H2,1-3H3,(H,52,53)(H,55,56)/p-1/b16-14-,17-15-,23-21-,28-26-,34-32-/t49-/m1/s1
SMILESCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C51H92NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-28-30-32-34-37-40-43-51(54)60-49(48-59-61(55,56)58-46-44-52-50(53)42-39-36-12-9-6-3)47-57-45-41-38-35-33-31-29-27-24-22-20-18-16-14-11-8-5-2/h14-17,21,23,26,28,32,34,49H,4-13,18-20,22,24-25,27,29-31,33,35-48H2,1-3H3,(H,52,53)(H,55,56)/b16-14-,17-15-,23-21-,28-26-,34-32-/t49-/m1/s1 Image of MNXM1046384
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37][CH2:40][CH2:43][C:51](=[O:54])[O:60][C@H:49]([CH2:47][O:57][CH2:45][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])[CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:44][N:52]=[C:50]([CH2:42][CH2:39][CH2:36][CH2:12][CH2:9][CH2:6][CH3:3])[OH:53]
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:000738773
slm:000738773
HOILGPIFHOQLNS-LGOHLQEKSA-M
1-O-(13Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(13Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(13Z)/20:4(5Z,8Z,11Z,14Z)/8:0)