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1-heptadecanoyl-2-(9Z,11E-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM361837 Image of MNXM361837
referenceslm:000035524
formulaC40H76NO8P
global charge0
mol weight730.021
InChIKeyQEIKHWHVUJDKQS-CZSAHCSDSA-N
InChIInChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,17,19,38H,3-12,14,16,18,20-37,41H2,1-2H3,(H,44,45)/b15-13+,19-17-/t38-/m1/s1
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C40H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,17,19,38H,3-12,14,16,18,20-37,41H2,1-2H3,(H,44,45)/b15-13+,19-17-/t38-/m1/s1 Image of MNXM361837
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:49][C@H:38]([CH2:36][O:46][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:37][O:48][P:50]([OH:44])(=[O:45])[O:47][CH2:35][CH2:34][NH2:41]
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:000035524
slm:000035524
QEIKHWHVUJDKQS-CZSAHCSDSA-N
1-heptadecanoyl-2-(9Z,11E-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
PE(17:0/18:2(9Z,11E))
Phosphatidylethanolamine (17:0/18:2(9Z,11E))