Dataset

1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR)

This MassBank record with Accession MSBNK-BS-BS001053 contains the MS mass spectrum of 1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR) with the InChIkey JGWWMNVPHKMUCV-WOBXFXBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H42NO7P/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/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI Key JGWWMNVPHKMUCV-WOBXFXBNSA-N
Molecular Formula C23H42NO7P
Exact Mass 475.270 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-BS001053
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:56.055453
MetadataModified 2024-01-11T12:35:56.210941
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
53480928 PubChem
SLM:000043339 SwissLipids
HMDB0011479 Human Metabolome Database
ZINC000040165338 ZINC
LMGP02050043 LipidMaps
145259 ChEBI
The data in this table is sourced from UniChem at EBI.