CHEBI:138923 - 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:138923
ChEBI ASCII Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine
Definition 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H36NO8P
Net Charge 0
Average Mass 425.455
Monoisotopic Mass 425.21785
InChI InChI=1S/C18H36NO8P/c1-3-5-7-9-10-17(20)24-14-16(27-18(21)11-8-6-4-2)15-26-28(22,23)25-13-12-19/h16H,3-15,19H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKey BVSONJOGLYNESH-MRXNPFEDSA-N
SMILES C(CN)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)O
ChEBI Ontology
Outgoing 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) has functional parent heptanoic acid (CHEBI:45571)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) has functional parent hexanoic acid (CHEBI:30776)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217)
Incoming 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923)
IUPAC Name
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl heptanoate
Synonyms Sources
PE(7:0/6:0) ChEBI
phosphatidylethanolamine 7:0/6:0 ChEBI
Citation Waiting for Citations Type Source
22605381 PubMed citation Europe PMC
Last Modified
02 November 2017