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1-butanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343504 Image of MNXM343504
referenceslm:000035010
formulaC27H52NO8P
global charge0
mol weight549.686
InChIKeyDFCONWWESHOARA-HAAQQRBASA-N
InChIInChI=1S/C27H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(30)36-25(23-33-26(29)19-4-2)24-35-37(31,32)34-22-21-28/h9-10,25H,3-8,11-24,28H2,1-2H3,(H,31,32)/b10-9-/t25-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C27H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(30)36-25(23-33-26(29)19-4-2)24-35-37(31,32)34-22-21-28/h9-10,25H,3-8,11-24,28H2,1-2H3,(H,31,32)/b10-9-/t25-/m1/s1 Image of MNXM343504
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:27](=[O:30])[O:36][C@H:25]([CH2:23][O:33][C:26]([CH2:19][CH2:4][CH3:2])=[O:29])[CH2:24][O:35][P:37]([OH:31])(=[O:32])[O:34][CH2:22][CH2:21][NH2:28]
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:000035010
slm:000035010
DFCONWWESHOARA-HAAQQRBASA-N
1-butanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
PE(4:0/18:1(11Z))
Phosphatidylethanolamine (4:0/18:1(11Z))