CHEBI:79276 - 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:79276
ChEBI ASCII Name 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine
Definition A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and glutaryl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H58NO9P
Net Charge 0
Average Mass 595.74590
Monoisotopic Mass 595.38492
InChI InChI=1S/C29H58NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36-25-27(39-29(33)21-19-20-28(31)32)26-38-40(34,35)37-24-22-30(2,3)4/h27H,5-26H2,1-4H3,(H-,31,32,34,35)/t27-/m1/s1
InChIKey GWFNYULHWQKAID-HHHXNRCGSA-N
SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC(O)=O
ChEBI Ontology
Outgoing 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine (CHEBI:79276) has functional parent glutaric acid (CHEBI:17859)
1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine (CHEBI:79276) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine (CHEBI:79276) is conjugate acid of 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1−) (CHEBI:78371)
Incoming 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1−) (CHEBI:78371) is conjugate base of 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine (CHEBI:79276)
IUPAC Name
(2R)-2-[(4-carboxybutanoyl)oxy]-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
1-palmityl-2-glutaryl-sn-glycero-3-phosphocholine ChEBI
Registry Number Type Source
9679289 Reaxys Registry Number Reaxys
Last Modified
18 July 2014