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phaseic acid

MNXM5889 is deprecated and here replaced by MNXM738528
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738528

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₂₀O₅

charge

mass

280.13107

reference

InChIKey

IZGYIFFQBZWOLJ-UUZREKTLSA-N

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28205 chebi:28205	phaseic acid (-)-Phaseic acid (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-beta-caroten-11-oic acid Phaseic acid
envipath:...3fb903cd0c46 envipathM:...3fb903cd0c46 envipath:...fe9637755142 envipathM:...fe9637755142	Phaseic Acid (PA)
kegg.compound:C09707 keggC:C09707	Phaseic acid
metacyc.compound:CPD-7729 metacycM:CPD-7729	neophaseate neoPA neophaseic acid
CHEBI:62069 chebi:62069	phaseic acid anion (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-dienoate (7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-beta-caroten-11-oate phaseate phaseate anion phaseate(1-)
chebi:25946 chebi:8042 keggC:M_C09707	secondary/obsolete/fantasy identifier