Dataset

N-Heptadecanoyl-D-erythro-Sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101916_9EE2 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_N101916_9EE2
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:28.165264
MetadataModified 2024-01-11T09:31:28.332525
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.856.007I Nikkaji
LMSP02010020 LipidMaps
DTXSID40659571 EPA CompTox Dashboard
86513 ChEBI
SLM:000395710 SwissLipids
MTBLC86513 Metabolights
ZINC000042875464 ZINC
44584335 PubChem
67492-16-4 ACToR
257099 Brenda
PD061088 ProbesDrugs
60057100 NMRShiftDB
HMDB0240678 Human Metabolome Database
J1.008.004E Nikkaji
CHEMBL514890 ChEMBL
The data in this table is sourced from UniChem at EBI.