Dataset

N-Heptadecanoyl-D-erythro-Sphingosine; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101927_9CB7 contains the MS2 mass spectrum of N-Heptadecanoyl-D-erythro-Sphingosine with the InChIkey ICWGMOFDULMCFL-QKSCFGQVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
SMILES OC[C@H](NC(CCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChI Key ICWGMOFDULMCFL-QKSCFGQVSA-N
Molecular Formula C35H69NO3
Exact Mass 551.528 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_N101927_9CB7
Version
Author
Maintainer
Language
MetadataPublished 2022-04-09
Related Molecule
  • N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86513 chebi
    LMSP02010020 lipidmaps
    CHEMBL514890 chembl
    22910831 surechembl
    44584335 pubchem
    PD061088 probes_and_drugs
    257099 brenda
    SLM:000395710 swisslipids
    HMDB0240678 hmdb
    Molport-046-426-224 molport
    The data in this table is sourced from UniChem at EBI.