Dataset

1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107906_EF88 contains the MS2 mass spectrum of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine with the InChIkey SLKDGVPOSSLUAI-PGUFJCEWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI Key SLKDGVPOSSLUAI-PGUFJCEWSA-N
Molecular Formula C37H74NO8P
Exact Mass 691.515 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107906_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:16.489100
MetadataModified 2024-01-11T09:30:16.705615
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PEF PDBe
507090 eMolecules
HY-W040268 MedChemExpress
ZINC000032793824 ZINC
LMGP02010037 LipidMaps
DB01728 DrugBank
HMDB0008923 Human Metabolome Database
73005 Rhea
MTBLC73127 Metabolights
SLM:000034909 SwissLipids
CB7742028 ChemicalBook
MTBLC73005 Metabolights
207187 Brenda
11802774 PubChem
15833577 PubChem: Thomson Pharma
16916234 PubChem: Thomson Pharma
73005 ChEBI
PD019007 ProbesDrugs
4FWH120Z1Z FDA SRS
923-61-5 ACToR
73127 ChEBI
SCHEMBL202169 SureChEMBL
J76.013G Nikkaji
445468 PubChem
The data in this table is sourced from UniChem at EBI.