1-Docosahexaenoin-2-oleoyl 3-Phosphocholine

cas: 99265-02-8 — see every product listed under this CAS number, including other names

1-Docosahexaenoin-2-oleoyl 3-Phosphocholine (CAS 99265-02-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-D494475-100MG
cas99265-02-8
size100mg
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purityNo data
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Structural formula: {0} (CAS {1})

[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate (CAS 99265-02-8) is a chemical compound with the molecular formula C48H82NO8P and a molecular weight of 832.1 g/mol. IUPAC name: [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate. InChIKey: NDBRCNIXDRLLSE-GSUBHOBPSA-N.

Identity
Molecular formulaC48H82NO8P
Molecular weight832.1 g/mol
IUPAC name[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChIKeyNDBRCNIXDRLLSE-GSUBHOBPSA-N
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C

Computed by PubChem (NCBI)

Synonyms: 1-Docosahexaenoin-2-oleoyl 3-Phosphocholine, 1-docosahexaenoyl-2-oleoyl-sn-glycero-3-phosphocholine
Isomers (same molecular formula)
[(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate C48H82NO8P