[(E)-4-(hydroxymethyl)-3-octadecanoyl-4-oxidanyl-5-oxidanylidene-2-phosphonooxy-docos-13-enyl]-trimethyl-azanium

Systemtic Name: [(E)-4-(hydroxymethyl)-3-octadecanoyl-4-oxidanyl-5-oxidanylidene-2-phosphonooxy-docos-13-enyl]-trimethyl-azanium Openeye Name: [(E)-4-hydroxy-4-(hydroxymethyl)-3-octadecanoyl-5-oxo-2-phosphonooxy-docos-13-enyl]-trimethyl-ammonium CAS Name: [(E)-4-hydroxy-4-(hydroxymethyl)-5-oxo-3-(1-oxooctadecyl)-2-phosphonooxydocos-13-enyl]-trimethylammonium IUPAC Name: [(E)-4-hydroxy-4-(hydroxymethyl)-3-octadecanoyl-5-oxo-2-phosphonooxydocos-13-enyl]-trimethylazanium Traditional Name: [(E)-4-hydroxy-5-keto-4-methylol-2-phosphonooxy-3-stearoyl-docos-13-enyl]-trimethyl-ammonium Formula: C44H87NO8P+ MolecularWeight: 789.137241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)OP(=O)(O)O)C(CO)(C(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)OP(=O)(O)O)C(CO)(C(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(47)43(41(38-45(3,4)5)53-54(50,51)52)44(49,39-46)42(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,41,43,46,49H,6-20,22,24-39H2,1-5H3,(H-,50,51,52)/p+1/b23-21+