Dataset

N-Palmitoyl-D-sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101807_FB57 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

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101807_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:00.823029
MetadataModified	2024-01-11T09:31:00.970812
MetadataPublished	2022-04-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL35292	ChEMBL
16C	PDBe
715863	eMolecules
34630	Brenda
84048	Brenda
MTBLC72959	Metabolights
128126	Brenda
HMDB0004949	Human Metabolome Database
72959	Rhea
SLM:000000554	SwissLipids
148257	Brenda
LMSP02010004	LipidMaps
ZINC000008860497	ZINC
50289523	BindingDB
J2.856.006K	Nikkaji
237343	Brenda
242173	Brenda
J525.581C	Nikkaji
SCHEMBL10298591	SureChEMBL
5283564	PubChem
60023629	NMRShiftDB
PD020099	ProbesDrugs
16163769	PubChem: Thomson Pharma
477243-06-4	ACToR
72959	ChEBI
128008	Brenda
The data in this table is sourced from UniChem at EBI.