CHEBI:170086 - [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate

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ChEBI Name [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate
ChEBI ID CHEBI:170086
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H83N2O6P
Net Charge 0
Average Mass 731.097
Monoisotopic Mass 730.59888
InChI InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h30,32,39-40,44H,6-29,31,33-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
InChIKey XLLAIUMIQHNXKC-IOLBBIBUSA-N
SMILES P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)CC=CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
ChEBI Ontology
Outgoing [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate (CHEBI:170086) is a phosphocholines (CHEBI:36700)
IUPAC Name
[(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Last Modified
15 November 2021