lysophosphatidic acid | SBID = 1476 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 7.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C21H41Na2O7P
M / g/mol: 482.499341
Complexity:
Number of Conformers:

Identifiers

  • Tags: phospholipid
  • Name: lysophosphatidic acid
  • Preferred Abbreviation: lysophosphatidic acid
  • IUPAC Name:
  • CAS:
  • CID: -561
  • InChiKey: CPDDUIFEWSUUJZ-UHFFFAOYSA-L
  • InChi: InChI=1S/C21H43O7P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;;/h20,22H,2-19H2,1H3,(H2,24,25,26);;/q;2*+1/p-2
  • CanoSmiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O.[Na+].[Na+]
  • IsoSmiles: O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COP([O-])([O-])=O.[Na+].[Na+]