Dataset

N-oleoyl-D-erythro-sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102016_9EE2 contains the MS2 mass spectrum of N-oleoyl-D-erythro-sphingosine with the InChIkey OBFSLMQLPNKVRW-RHPAUOISSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI Key OBFSLMQLPNKVRW-RHPAUOISSA-N
Molecular Formula C36H69NO3
Exact Mass 563.528 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102016_9EE2
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:02.878069
MetadataModified 2024-01-11T09:32:03.029057
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD076262 ProbesDrugs
5966-28-9 ACToR
60023642 NMRShiftDB
5283563 PubChem
77996 Rhea
SLM:000389560 SwissLipids
ZINC000040164464 ZINC
MTBLC77996 Metabolights
LMSP02010003 LipidMaps
84050 Brenda
HMDB0004948 Human Metabolome Database
77996 ChEBI
242166 Brenda
DTXSID00415271 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.