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CHEBI:49253 - (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid

ChEBI IDCHEBI:49253
ChEBI Name(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
Stars
ASCII Name(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
DefinitionAn optically active 9-(phosphonooxy)-10-hydroxy derivative of stearic acid with (9S,10S)-configuration.
Last Modified1 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H37O7P
Net Charge0
Average Mass396.461
Monoisotopic Mass396.22769
SMILESCCCCCCCC[C@H](O)[C@H](CCCCCCCC(=O)O)OP(=O)(O)O
InChIInChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1
InChIKeyUELBXEKQONEDKM-IRXDYDNUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid (CHEBI:49253) has functional parent octadecanoic acid (CHEBI:28842)
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid (CHEBI:49253) is a carboxyalkyl phosphate (CHEBI:36952)
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid (CHEBI:49253) is a hydroxyalkyl phosphate (CHEBI:36949)
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid (CHEBI:49253) is conjugate acid of (9S,10S)-10-hydroxy-9-(phosphonatooxy)octadecanoate (CHEBI:58796)
Incoming Relation(s)
(9S,10S)-10-hydroxy-9-(phosphonatooxy)octadecanoate (CHEBI:58796) is conjugate base of (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid (CHEBI:49253)
IUPAC Name 
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
Synonym  Source
(9S,10S)-10-hydroxy-9-(phosphonooxy)stearic acidChEBI
Manual XrefsDatabases
C15989KEGG COMPOUND