Dataset

1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107918_2347 contains the MS2 mass spectrum of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine with the InChIkey SLKDGVPOSSLUAI-PGUFJCEWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI Key SLKDGVPOSSLUAI-PGUFJCEWSA-N
Molecular Formula C37H74NO8P
Exact Mass 691.515 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107918_2347
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MetadataPublished 2022-04-07
Related Molecule
  • [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01728 drugbank
    CHEBI:73005 chebi
    CHEBI:73127 chebi
    LMGP02010037 lipidmaps
    PEF rcsb_pdb
    202169 surechembl
    11802774 pubchem
    445468 pubchem
    4FWH120Z1Z fdasrs
    PD019007 probes_and_drugs
    207187 brenda
    SLM:000034909 swisslipids
    HMDB0008923 hmdb
    Molport-003-932-562 molport
    Molport-044-183-292 molport
    The data in this table is sourced from UniChem at EBI.