Dataset

N-Palmitoyl-D-sphingosine; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101831_187B contains the MS2 mass spectrum of N-Palmitoyl-D-sphingosine with the InChIkey YDNKGFDKKRUKPY-TURZORIXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
SMILES [H][C@@](CO)(NC(=O)CCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC
InChI Key YDNKGFDKKRUKPY-TURZORIXSA-N
Molecular Formula C34H67NO3
Exact Mass 537.512 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_N101831_187B
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MetadataPublished 2022-04-09
Related Molecule
  • N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:72959 chebi
    LMSP02010004 lipidmaps
    16C rcsb_pdb
    CHEMBL35292 chembl
    10298591 surechembl
    5283564 pubchem
    FD38GFZ87C fdasrs
    PD020099 probes_and_drugs
    128008 brenda
    128126 brenda
    148257 brenda
    232506 brenda
    237343 brenda
    242173 brenda
    242268 brenda
    34630 brenda
    84048 brenda
    HMDB0004949 hmdb
    50726259 bindingdb
    Molport-003-845-717 molport
    The data in this table is sourced from UniChem at EBI.