Dataset

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

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107918_9EE2 contains the MS2 mass spectrum of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine with the InChIkey SLKDGVPOSSLUAI-PGUFJCEWSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107918_9EE2
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:29.368097
MetadataModified	2024-01-11T09:32:29.535014
MetadataPublished	2022-04-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LMGP02010037	LipidMaps
HY-W040268	MedChemExpress
J76.013G	Nikkaji
PEF	PDBe
11802774	PubChem
73127	ChEBI
15833577	PubChem: Thomson Pharma
16916234	PubChem: Thomson Pharma
PD019007	ProbesDrugs
4FWH120Z1Z	FDA SRS
923-61-5	ACToR
73005	ChEBI
SCHEMBL202169	SureChEMBL
445468	PubChem
ZINC000032793824	ZINC
MTBLC73127	Metabolights
CB7742028	ChemicalBook
MTBLC73005	Metabolights
DB01728	DrugBank
207187	Brenda
73005	Rhea
SLM:000034909	SwissLipids
HMDB0008923	Human Metabolome Database
507090	eMolecules
The data in this table is sourced from UniChem at EBI.