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

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ChEBI Name (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
ChEBI ID CHEBI:49253
ChEBI ASCII Name (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
Definition An optically active 9-(phosphonooxy)-10-hydroxy derivative of stearic acid with (9S,10S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H37O7P
Net Charge 0
Average Mass 396.45594
Monoisotopic Mass 396.22769
InChI InChI=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
InChIKey UELBXEKQONEDKM-IRXDYDNUSA-N
SMILES CCCCCCCC[C@H](O)[C@H](CCCCCCCC(O)=O)OP(O)(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 acid ChEBI
Manual Xref Database
C15989 KEGG COMPOUND
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Last Modified
01 July 2010