CHEBI:138922 - 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:138922
ChEBI ASCII Name 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as hexanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40220
Supplier Information
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Formula C17H34NO8P
Net Charge 0
Average Mass 411.428
Monoisotopic Mass 411.20220
InChI InChI=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
InChIKey PELYUHWUVHDSSU-OAHLLOKOSA-N
SMILES C(CN)OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)O
ChEBI Ontology
Outgoing 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922) has functional parent hexanoic acid (CHEBI:30776)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922) is tautomer of 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216)
Incoming 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138216) is tautomer of 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138922)
IUPAC Name
2-aminoethyl (2R)-2,3-bis(hexanoyloxy)propyl phosphate
Synonyms Sources
PE(6:0/6:0) ChEBI
phosphatidylethanolamine 6:0/6:0 ChEBI
Manual Xref Database
6PE PDBeChem
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Registry Number Type Source
6937617 Reaxys Registry Number Reaxys
Last Modified
02 November 2017