CHEBI:142749 - 1-palmitoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-palmitoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine ChEBI ID CHEBI:142749 ChEBI ASCII Name 1-palmitoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine Definition A 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as 9-hydroxynonanoyl. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H66NO9P Net Charge 0 Average Mass 651.853 Monoisotopic Mass 651.44752 InChI InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(36)40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-16-17-20-23-27-35/h31,35H,5-30H2,1-4H3/t31-/m1/s1 InChIKey RELSMTOEBYVLCG-WJOKGBTCSA-N SMILES O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCCCO ChEBI Ontology Outgoing 1-palmitoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine (CHEBI:142749) has functional parent 9-hydroxynonanoic acid (CHEBI:79121) 1-palmitoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine (CHEBI:142749) is a 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:77369) IUPAC Name (2R)-2-[(9-hydroxynonanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate Synonyms Sources 1-hexadecanoyl-2-(9-hydroxynonanoyl)-sn-glycero-3-phosphocholine UniProt 1-hexadecanoyl-2-(9-hydroxynonanoyl)-sn-phosphatidylcholine SUBMITTER PC(16:0/9-OH-9:0) SUBMITTER Citation Type Source 17381426 PubMed citation SUBMITTER Last Modified 11 December 2018