BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-alpha-Lysophosphatidylcholine

Graphical representations:

L-alpha-Lysophosphatidylcholine image

Molecular Formula: C9 H21 N O7 P +

Natural Isotopic Abundance Mass: 286.239301

Mono-Isotopic Molecular Masses:

  • C12N14: 286.105563544
  • C13N14: 295.1357570842
  • C12N15: 287.1025984372
  • C13N15: 296.1327919774

InCHi String: InChI=1S/C9H20NO7P/c1-10(2,3)4-5-16-18(13,14)17-7-9(6-11)15-8-12/h8-9,11H,4-7H2,1-3H3/p+1/t9-/m1/s1

canonical SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(CO)OC=O

isomeric SMILES: C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC=O

PUBCHEM iupac NAME
2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-[[(2R)-2-formyloxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium

PUBCHEM iupac CAS NAME
2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium

PUBCHEM iupac SYSTEMATIC NAME
2-[[(2R)-2-methanoyloxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

PubChem Substance (SID):   160963345   124403633   49742685
PubChem Compound (CID):   24798682
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 9008-30-4   MDL number MFCD00131444   EC Number 232-715-0   ChEBI CHEBI:16728

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.