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1-butanoyl-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343406 Image of MNXM343406
referenceslm:000035004
formulaC22H44NO8P
global charge0
mol weight481.567
InChIKeyHOJOXMFFNIQLSO-HXUWFJFHSA-N
InChIInChI=1S/C22H44NO8P/c1-4-12-21(24)28-17-20(18-30-32(26,27)29-16-15-23)31-22(25)14-11-9-7-5-6-8-10-13-19(2)3/h19-20H,4-18,23H2,1-3H3,(H,26,27)/t20-/m1/s1
SMILESCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C22H44NO8P/c1-4-12-21(24)28-17-20(18-30-32(26,27)29-16-15-23)31-22(25)14-11-9-7-5-6-8-10-13-19(2)3/h19-20H,4-18,23H2,1-3H3,(H,26,27)/t20-/m1/s1 Image of MNXM343406
SMILES (mnx)[CH3:1][CH2:4][CH2:12][C:21](=[O:24])[O:28][CH2:17][C@H:20]([CH2:18][O:30][P:32]([OH:26])(=[O:27])[O:29][CH2:16][CH2:15][NH2:23])[O:31][C:22]([CH2:14][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:13][CH:19]([CH3:2])[CH3:3])=[O:25]
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:000035004
slm:000035004
HOJOXMFFNIQLSO-HXUWFJFHSA-N
1-butanoyl-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine
PE(4:0/13:0)
Phosphatidylethanolamine (4:0/13:0)