Dataset

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

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101827_9C9C 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_N101827_9C9C
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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
    CHEMBL35292 ChEMBL
    16C PDBe
    SLM:000000554 SwissLipids
    J2.856.006K Nikkaji
    J525.581C Nikkaji
    50289523 BindingDB
    LMSP02010004 LipidMaps
    242173 Brenda
    237343 Brenda
    SCHEMBL10298591 SureChEMBL
    HMDB0004949 Human Metabolome Database
    72959 Rhea
    ZINC000008860497 ZINC
    128126 Brenda
    148257 Brenda
    84048 Brenda
    34630 Brenda
    MTBLC72959 Metabolights
    5283564 PubChem
    60023629 NMRShiftDB
    PD020099 ProbesDrugs
    16163769 PubChem: Thomson Pharma
    477243-06-4 ACToR
    72959 ChEBI
    128008 Brenda
    715863 eMolecules
    The data in this table is sourced from UniChem at EBI.