Dataset

N-Palmitoyl-D-sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101831_D0B8 contains the MS2 mass spectrum of N-Palmitoyl-D-sphingosine with the InChIkey YDNKGFDKKRUKPY-TURZORIXSA-N.

Chemical Info

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

N-Palmitoyl-D-sphingosineHTML
Explore
- More information
- Go to resource

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_N101831_D0B8
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:34:37.706129
MetadataModified	2025-02-08T18:50:01.241605
MetadataPublished	2022-04-09

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.