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

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3,5-dihydroxy-1,4-naphthoquinone

MNXM3803 is deprecated and here replaced by MNXM1369289
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1369289
reference	chebi:58026
formula	C₁₀H₅O₄
global charge	-1
mol weight	189.146
InChIKey	VYGYXAIGQZWAQC-UHFFFAOYSA-M
InChI	InChI=1S/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11,13H/p-1
SMILES	O=C1C=C([O-])C(=O)C2=C1C=CC=C2O

MNX internals

InChI (mnx)	InChI=1/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11,13H
SMILES (mnx)	[CH:1]1=[CH:2][C:5]2=[C:9]([C:6]([OH:11])=[CH:3]1)[C:10](=[O:14])[C:8]([OH:13])=[CH:4][C:7]2=[O:12]

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:58026 chebi:58026 VYGYXAIGQZWAQC-UHFFFAOYSA-M	3,5-dihydroxy-1,4-naphthoquinone 8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate 8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate anion
CHEBI:17136 chebi:17136 VYGYXAIGQZWAQC-UHFFFAOYSA-N	2,8-dihydroxy-1,4-naphthoquinone 2,8-dihydroxynaphthalene-1,4-dione 3,5-Dihydroxy-1,4-naphthoquinone
kegg.compound:C04110 keggC:C04110 VYGYXAIGQZWAQC-UHFFFAOYSA-N	3,5-Dihydroxy-1,4-naphthoquinone
metacyc.compound:CPD-275 metacycM:CPD-275 VYGYXAIGQZWAQC-UHFFFAOYSA-M	3,5-dihydroxy-1,4-naphthoquinone 3-hydroxyjuglone
chebi:11708 chebi:1402 chebi:19907 keggC:M_C04110	secondary/obsolete/fantasy identifier