Terminology Service for NFDI4Health
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1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86183

A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl and (9Z)-octadecenoyl respectively.

Term info

Label

1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-3-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C46H80NO8P

has obo namespace

chebi_ontology

has related synonym

GPCho(20:5n3/18:1n9), Phosphatidylcholine(20:5w3/18:1w9), PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)), Phosphatidylcholine(20:5n3/18:1n9), PC(20:5w3/18:1w9), PC(20:5n3/18:1n9), GPCho(20:5w3/18:1w9), 1-Eicosapentaenoyl-2-oleoyl-sn-glycero-3-phosphocholine

id

CHEBI:86183

inchi

InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,30,32,44H,6-7,9,11-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1

inchikey

JZKMYCPNBSRARO-YMBRLFDISA-N

mass

806.10310

monoisotopicmass

805.56216

smiles

CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C