Dataset

[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate, 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT208070 contains the MS2 mass spectrum of [(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate, 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol with the InChIkey OKLASJZQBDJAPH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)
SMILES CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI Key OKLASJZQBDJAPH-UHFFFAOYSA-N
Molecular Formula C27H53O8P
Exact Mass 536.689 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT208070
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MetadataPublished 2008-07-28
Related Molecule
  • (2-dodecanoyloxy-3-phosphonooxypropyl) dodecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    100470 Brenda
    J320.164C Nikkaji
    124544 Brenda
    SCHEMBL3813569 SureChEMBL
    3702282 PubChem
    PD047009 ProbesDrugs
    15358643 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.