Products 56391-91-4

CAS 56391-91-4 appears in our catalog under these names: 3,5,9-Trioxa-4-phosphaheptacos-15-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(6Z)-1-oxo-6-octadecen-1-yl]oxy]-, inner salt, 4-oxide, (7R,15Z)-, 18:1 (DELTA 6-CIS) PC, 18:1 (Δ6-Cis) PC. Offered by: Chemat, Sigma-Aldrich, MedChemExpress. Available pack sizes: 25mg, Get quote.

Structural formula: {0} (CAS {1})

1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine is a 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is (6Z)-octadecenoyl. It has a role as a human metabolite. It is functionally related to a petroselinic acid.

Source: ChEBI

Identity
Molecular formulaC44H84NO8P
Molecular weight786.1 g/mol
IUPAC name[(2R)-2,3-bis[[(Z)-octadec-6-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChIKeyKLJBLQFSKZACGJ-MMKOEKFTSA-N
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\CCCCCCCCCCC

Computed by PubChem (NCBI)