CHEBI:138198 - 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine ChEBI ID CHEBI:138198 ChEBI ASCII Name 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine Definition A phosphatidylcholine 13:0 in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl 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 C21H42NO8P Net Charge 0 Average Mass 467.535 Monoisotopic Mass 467.26480 InChI InChI=1S/C21H42NO8P/c1-6-8-10-12-13-20(23)27-17-19(30-21(24)14-11-9-7-2)18-29-31(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m1/s1 InChIKey ILEMXBCROCGAHC-LJQANCHMSA-N SMILES P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via phosphatidylcholine 13:0 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) has functional parent heptanoic acid (CHEBI:45571) 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) has functional parent hexanoic acid (CHEBI:30776) 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) is a phosphatidylcholine 13:0 (CHEBI:134299) IUPAC Name (2R)-3-(heptanoyloxy)-2-(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine UniProt PC(7:0/6:0) SUBMITTER phosphatidylcholine (7:0/6:0) ChEBI Citation Type Source 22605381 PubMed citation SUBMITTER Last Modified 24 October 2017