CHEBI:138217 - 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion

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ChEBI Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion
ChEBI ID CHEBI:138217
ChEBI ASCII Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion
Definition 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion 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.
Submitter Lucila Aimo
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(C[NH3+])OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)[O-]
ChEBI Ontology
Outgoing 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) has functional parent heptanoate (CHEBI:32362)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) has functional parent hexanoate (CHEBI:17120)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:64612)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923)
Incoming 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:138923) is tautomer of 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217)
IUPAC Name
2-azaniumylethyl (2R)-3-(heptanoyloxy)-2-(hexanoyloxy)propyl phosphate
Synonyms Sources
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine UniProt
PE(7:0/6:0) SUBMITTER
phosphatidylethanolamine 7:0/6:0 ChEBI
Citation Waiting for Citations Type Source
22605381 PubMed citation SUBMITTER
Last Modified
02 November 2017