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CHEBI:85133 - 12-(phosphonooxy)octadecanoic acid

ChEBI IDCHEBI:85133
ChEBI Name12-(phosphonooxy)octadecanoic acid
Stars
DefinitionA carboxyalkyl phosphate that is octadecanoic acid carrying a phosphonooxy substituent at position 12.
Last Modified1 May 2015
Submitternhn
DownloadsMolfile
FormulaC18H37O6P
Net Charge0
Average Mass380.462
Monoisotopic Mass380.23278
SMILESCCCCCCC(CCCCCCCCCCC(=O)O)OP(=O)(O)O
InChIInChI=1S/C18H37O6P/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20/h17H,2-16H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyQZULXZYUVCCXJM-UHFFFAOYSA-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)
12-(phosphonooxy)octadecanoic acid (CHEBI:85133) has functional parent octadecanoic acid (CHEBI:28842)
12-(phosphonooxy)octadecanoic acid (CHEBI:85133) is a carboxyalkyl phosphate (CHEBI:36952)
12-(phosphonooxy)octadecanoic acid (CHEBI:85133) is conjugate acid of 12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134)
Incoming Relation(s)
12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134) is conjugate base of 12-(phosphonooxy)octadecanoic acid (CHEBI:85133)
IUPAC Name 
12-(phosphonooxy)octadecanoic acid
Synonym  Source
12-(phosphonooxy)stearic acidSUBMITTER