MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

phaseic acid

MNXM5889 is deprecated and here replaced by MNXM1371948
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371948
reference	chebi:28205
formula	C₁₅H₂₀O₅
global charge	0
mol weight	280.32
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

MNX internals

InChI (mnx)	InChI=1/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 (mnx)	[CH3:1][C:10](/[CH:4]=[CH:5]/[C@:15]1([OH:19])[C@:13]2([CH3:2])[CH2:7][C:11](=[O:16])[CH2:8][C@@:14]1([CH3:3])[O:20][CH2:9]2)=[CH:6]/[C:12](=[O:17])[OH:18]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28205 chebi:28205 IZGYIFFQBZWOLJ-UUZREKTLSA-N	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 IZGYIFFQBZWOLJ-UUZREKTLSA-N	Phaseic Acid (PA)
kegg.compound:C09707 keggC:C09707 IZGYIFFQBZWOLJ-UUZREKTLSA-N	Phaseic acid
seed.compound:cpd24847 seedM:cpd24847 IZGYIFFQBZWOLJ-UUZREKTLSA-M	neoPA neophaseate neophaseic acid
metacyc.compound:CPD-7729 metacycM:CPD-7729 IZGYIFFQBZWOLJ-UUZREKTLSA-M	neophaseate neoPA neophaseic acid
CHEBI:62069 chebi:62069 IZGYIFFQBZWOLJ-UUZREKTLSA-M	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 seedM:M_cpd24847	secondary/obsolete/fantasy identifier