CHEBI:138211 - 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine ChEBI ID CHEBI:138211 ChEBI ASCII Name 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine Definition A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and pentanoyl respectively. 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 C31H62NO8P Net Charge 0 Average Mass 607.801 Monoisotopic Mass 607.42130 InChI InChI=1S/C31H62NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(33)37-27-29(40-31(34)23-9-7-2)28-39-41(35,36)38-26-25-32(3,4)5/h29H,6-28H2,1-5H3/t29-/m1/s1 InChIKey MPCREWBYZXMEFD-GDLZYMKVSA-N SMILES P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCC)(=O)(OCC[N+](C)(C)C)[O-] ChEBI Ontology Outgoing 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) has functional parent octadecanoic acid (CHEBI:28842) 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) has functional parent valeric acid (CHEBI:17418) 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) IUPAC Name (2R)-3-(octadecanoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine UniProt 1-stearoyl-2-pentanoyl-sn-glycero-3-phosphocholine ChEBI 1-stearoyl-2-valeryl-sn-glycero-3-phosphocholine ChEBI PC(18:0/5:0) SUBMITTER phosphatidylcholine (18:0/5:0) ChEBI Registry Number Type Source 29225581 Reaxys Registry Number Reaxys Citation Type Source 21926997 PubMed citation SUBMITTER Last Modified 24 October 2017