Dataset

N-Heptadecanoyl-D-erythro-Sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101931_D0B8 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101931_D0B8
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:25.207503
MetadataModified 2024-01-11T09:32:25.368828
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC86513 Metabolights
SLM:000395710 SwissLipids
ZINC000042875464 ZINC
60057100 NMRShiftDB
67492-16-4 ACToR
PD061088 ProbesDrugs
44584335 PubChem
257099 Brenda
J1.008.004E Nikkaji
J2.856.007I Nikkaji
HMDB0240678 Human Metabolome Database
86513 ChEBI
DTXSID40659571 EPA CompTox Dashboard
LMSP02010020 LipidMaps
CHEMBL514890 ChEMBL
The data in this table is sourced from UniChem at EBI.