Dataset

1-Hydroxy-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (NMR)

This MassBank record with Accession MSBNK-BS-BS001050 contains the MS2 mass spectrum of 1-Hydroxy-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (NMR) with the InChIkey SVRBKLJIDJHADS-USWSLJGRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1
SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI Key SVRBKLJIDJHADS-USWSLJGRSA-N
Molecular Formula C23H44NO7P
Exact Mass 477.286 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001050
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:08.952046
MetadataModified 2024-01-11T12:36:09.099003
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76090 Rhea
SLM:000043341 SwissLipids
HMDB0011477 Human Metabolome Database
MTBLC76090 Metabolights
ZINC000040165336 ZINC
MTBLC76233 Metabolights
LMGP02050041 LipidMaps
60023730 NMRShiftDB
53480926 PubChem
76233 ChEBI
76090 ChEBI
71768149 PubChem
The data in this table is sourced from UniChem at EBI.