BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

L-alpha-phosphatidylinositol

L-alpha-phosphatidylinositol synonyms

L-alpha-phosphatidylinositol

Wikipedia:

Graphical representations:

L-alpha-phosphatidylinositol image

View large 3D structure

Molecular Formula: C43H78O13P-

Natural Isotopic Abundance Mass: 834.045380999998

Mono-Isotopic Molecular Masses:

  • C12N14: 833.518004186002
  • C13N14: 876.662262220001
  • C12N15: 833.518004186002
  • C13N15: 876.662262220001

InChI String: InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35-,38-,39-,40+,41+,42+,43-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   25244954
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_18525

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773