Dataset

1,2-diheptadecanoyl-sn-glycero-3-phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107127_9C9C contains the MS2 mass spectrum of 1,2-diheptadecanoyl-sn-glycero-3-phosphate with the InChIkey DCTKYKGNFQBCHY-PGUFJCEWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C37H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
SMILES [C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCC)=O
InChI Key DCTKYKGNFQBCHY-PGUFJCEWSA-N
Molecular Formula C37H73O8P
Exact Mass 676.504 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107127_9C9C
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:14.540203
MetadataModified 2024-01-11T09:31:14.755785
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16219855 PubChem
196771 ChEBI
J1.010.068B Nikkaji
SCHEMBL546575 SureChEMBL
LMGP10010896 LipidMaps
The data in this table is sourced from UniChem at EBI.