phaseic acid (CHEBI:28205)

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ChEBI Name	phaseic acid

ChEBI ID	CHEBI:28205

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:8042, CHEBI:25946

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O5

Net Charge

Average Mass

280.31630

Monoisotopic Mass

280.13107

InChI

InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t13-,14-,15+/m1/s1

InChIKey

IZGYIFFQBZWOLJ-UUZREKTLSA-N

SMILES

CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)=C\C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	phaseic acid (CHEBI:28205) has role metabolite (CHEBI:25212) phaseic acid (CHEBI:28205) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) phaseic acid (CHEBI:28205) is a apo carotenoid sesquiterpenoid (CHEBI:36758) phaseic acid (CHEBI:28205) is conjugate acid of phaseic acid anion (CHEBI:62069)

Incoming	epi-dihydrophaseic acid (CHEBI:23926) has functional parent phaseic acid (CHEBI:28205) dihydrophaseic acid (CHEBI:23757) has functional parent phaseic acid (CHEBI:28205) dihydrophaseic acid 4-O-β-D-glucoside (CHEBI:23758) has functional parent phaseic acid (CHEBI:28205) phaseic acid anion (CHEBI:62069) is conjugate base of phaseic acid (CHEBI:28205)

IUPAC Names

(2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid

(7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-β-caroten-11-oic acid

Registry Number	Type	Source
24394-14-7	CAS Registry Number	KEGG COMPOUND

Last Modified

28 July 2014