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

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menadione

	Properties	Image
MNX_ID	MNXM2397
reference	chebi:28869
formula	C₁₁H₈O₂
global charge	0
mol weight	172.183
InChIKey	MJVAVZPDRWSRRC-UHFFFAOYSA-N
InChI	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
SMILES	CC1=CC(=O)C2=CC=CC=C2C1=O

MNX internals

InChI (mnx)	InChI=1/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:6][C:10](=[O:12])[C:8]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:9]2[C:11]1=[O:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6806891 reactomeM:R-ALL-6806891 CHEBI:28869 chebi:28869 MJVAVZPDRWSRRC-UHFFFAOYSA-N	menadione 2-Methyl-1,4-naphthochinon 2-methyl-1,4-naphthalenedione 2-methyl-1,4-naphthoquinone 2-methylnaphthalene-1,4-dione 2-methylnaphthoquinone 3-methyl-1,4-naphthoquinone Aquakay Aquinone Hemodal Kappaxin MENADIONE Menadione menadion menaphthon menaphthone menaquinone menaquinone 0 vitamin K3
bigg.metabolite:mndn biggM:mndn	Menadione
kegg.drug:D02335 keggD:D02335 MJVAVZPDRWSRRC-UHFFFAOYSA-N	Menadione (USP) Kappaxin (TN)
hmdb:HMDB0001892 MJVAVZPDRWSRRC-UHFFFAOYSA-N	Menadione 2-Methyl-1,4-naftochinon 2-Methyl-1,4-naphthalendione 2-Methyl-1,4-naphthalenedione 2-Methyl-1,4-naphthochinon 2-Methyl-1,4-naphthodione 2-Methyl-1,4-naphthoquinone 2-Methylnaphthoquinone 2-methyl-1,4-dihydronaphthalene-1,4-dione 3-Methyl-1,4-naphthoquinone Aquakay Aquinone Bisulfite, menadione Bisulfite, menadione sodium Hemodal Juva-K K-Thrombyl K-Vitan Kaergona Kanone Kappaxan Kappaxin Karcon Kareon Kativ-g Kayklot Kaykot Kaynone Kayquinone Kipca Kipca-oil soluble Klottone Koaxin Kolklot MNQ Menadion Menadione bisulfite Menadione sodium bisulfite Menadione sodium bisulfite, trihydrate Menaphthene Menaphthon Menaphthone Menaphtone Menaquinone Menaquinone O Mitenon Mitenone Panosine Prokayvit Sodium bisulfite, menadione Synkay Thyloquinone Vicasol Vikasol Vitamin K 3 Vitamin K0 Vitamin K2 Vitamin K3 Vitamin K3 sodium bisulfite Vitamin K3: 1,4-dihydro-1,4-dioxo-2-methylnaphthalene menadione
seed.compound:cpd03185 seedM:cpd03185 MJVAVZPDRWSRRC-UHFFFAOYSA-N	Menadione 2-Methyl-1,4-naphthoquinone 2-methyl-1,4-naphthalenedione 2-methyl-1,4-naphthoquinone 2-methylnaphthoquinone Vitamin K3 menadione mndn vitamin K3
sabiork.compound:7880 sabiorkM:7880 kegg.compound:C05377 keggC:C05377 MJVAVZPDRWSRRC-UHFFFAOYSA-N	Menadione 2-Methyl-1,4-naphthoquinone Vitamin K3
metacyc.compound:CPD-3766 metacycM:CPD-3766 MJVAVZPDRWSRRC-UHFFFAOYSA-N	menadione 2-methyl-1,4-naphthalenedione 2-methyl-1,4-naphthoquinone 2-methylnaphthoquinone vitamin K3
hmdb:HMDB01892 chebi:27304 chebi:46306 chebi:6747 biggM:M_mndn keggC:M_C05377 keggD:M_D02335 seedM:M_cpd03185	secondary/obsolete/fantasy identifier