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1-O-(11Z-eicosenyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1043135 Image of MNXM1043135
referenceslm:000735524
formulaC51H97NO8P
global charge-1
mol weight883.31
InChIKeyPSJRNOLBSZUKJJ-BEGGXJNMSA-M
InChIInChI=1S/C51H98NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-9-6-3)60-51(54)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20-23,49H,4-19,24-48H2,1-3H3,(H,52,53)(H,55,56)/p-1/b22-20-,23-21-/t49-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H98NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-9-6-3)60-51(54)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20-23,49H,4-19,24-48H2,1-3H3,(H,52,53)(H,55,56)/b22-20-,23-21-/t49-/m1/s1 Image of MNXM1043135
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:41][CH2:45][O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:44][N:52]=[C:50]([CH2:42][CH2:39][CH2:9][CH2:6][CH3:3])[OH:53])[O:60][C:51]([CH2:43][CH2:40][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]
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:000735524
slm:000735524
PSJRNOLBSZUKJJ-BEGGXJNMSA-M
1-O-(11Z-eicosenyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(11Z-eicosenyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-20:1(11Z)/20:1(11Z)/6:0)