Dataset

N-Heptadecanoyl-D-erythro-Sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101927_9C9C contains the MS2 mass spectrum of N-Heptadecanoyl-D-erythro-Sphingosine with the InChIkey ICWGMOFDULMCFL-QKSCFGQVSA-N.

Chemical Info

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_9C9C
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:14.789074
MetadataModified 2025-02-08T18:48:11.657941
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44584335 PubChem
67492-16-4 ACToR
257099 Brenda
PD061088 ProbesDrugs
60057100 NMRShiftDB
SLM:000395710 SwissLipids
MTBLC86513 Metabolights
ZINC000042875464 ZINC
J2.856.007I Nikkaji
DTXSID40659571 EPA CompTox Dashboard
LMSP02010020 LipidMaps
J1.008.004E Nikkaji
86513 ChEBI
HMDB0240678 Human Metabolome Database
CHEMBL514890 ChEMBL
The data in this table is sourced from UniChem at EBI.