Terminology Service for NFDI4Health
1-octadecanoyl-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Go to external page
http://purl.obolibrary.org/obo/CHEBI_86176
A phosphatidylcholine 36:3 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and (5Z,8Z,11Z)-icosatrienoyl respectively.
Term info
Label
1-octadecanoyl-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Subsets
3_STAR
charge
0
formula
C46H86NO8P
has obo namespace
chebi_ontology
has related synonym
Phosphatidylcholine(18:0/20:3n9), PC(18:0/20:3w9), GPCho(18:0/20:3w9), 1-stearoyl-2-meadoyl-GPC (18:0/20:3n9), 1-stearoyl-2-meadoyl-GPC, 1-Stearoyl-2-meadoyl-sn-glycero-3-phosphocholine, Phosphatidylcholine(18:0/20:3w9), GPC(18:0/20:3n9), PC(18:0/20:3(5Z,8Z,11Z)), Phosphatidylcholine(38:3), Phosphatidylcholine(18:0/20:3), GPCho(18:0/20:3), PC(18:0/20:3), GPCho(18:0/20:3n9), PC(38:3), PC(18:0/20:3n9)
id
CHEBI:86176
inchi
InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,44H,6-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b22-20-,27-25-,33-31-/t44-/m1/s1
inchikey
QXDDDGCNWRUEFM-UMKMFDOBSA-N
mass
812.152
monoisotopicmass
811.60911
smiles
[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O