L-alpha-Phosphatidylcholine

• L-alpha-Phosphatidylcholine
• bmse001027 - data

InCHi String:
InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1

canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
isomeric SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC


PUBCHEM iupac NAME
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate

PUBCHEM iupac CAS NAME
[(2R)-3-(1-oxohexadecoxy)-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate

PUBCHEM iupac SYSTEMATIC NAME
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate



PubChem Substance (SID):   160963346   24874850   7983079
PubChem Compound (CID):   16213884
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 8002-43-5   Beilstein Registry Number 5209585   EC 232-307-2   Sigma-Aldrich 61752_FLUKA   ChemSpider 17341551   LipidMAPS LMGP01010592