EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138216 - 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion

ChEBI IDCHEBI:138216
ChEBI Name1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion
Stars
ASCII Name1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion
Definition1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are both specified as hexanoyl.
Last Modified2 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC17H34NO8P
Net Charge0
Average Mass411.432
Monoisotopic Mass411.20220
SMILESCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCC
InChIInChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyPELYUHWUVHDSSU-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) has functional parent hexanoate (CHEBI:17120)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:64612)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) is tautomer of 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922)
Incoming Relation(s)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922) is tautomer of 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216)
IUPAC Name 
2-azaniumylethyl (2R)-2,3-bis(hexanoyloxy)propyl phosphate
Synonyms  Source
PE(6:0/6:0)SUBMITTER
phosphatidylethanolamine 6:0/6:0ChEBI
UniProt Name  Source
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamineUniProt
Citations