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

Feedback

5-hydroxymethylfurfural

	Properties	Image
MNX_ID	MNXM10320
reference	chebi:412516
formula	C₆H₆O₃
global charge	0
mol weight	126.111
InChIKey	NOEGNKMFWQHSLB-UHFFFAOYSA-N
InChI	InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
SMILES	O=CC1=CC=C(CO)O1

MNX internals

InChI (mnx)	InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
SMILES (mnx)	[CH:1]1=[C:5]([CH:3]=[O:7])[O:9][C:6]([CH2:4][OH:8])=[CH:2]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:412516 chebi:412516 NOEGNKMFWQHSLB-UHFFFAOYSA-N	5-hydroxymethylfurfural 2-Hydroxymethyl-5-furfural 5-(Hydroxymethyl)-2-furancarbonal 5-(Hydroxymethyl)-2-furancarboxaldehyde 5-(Hydroxymethyl)-2-furfural 5-(Hydroxymethyl)-2-furfuraldehyde 5-(Hydroxymethyl)furan-2-aldehyde 5-(Hydroxymethyl)furfural 5-(Hydroxymethyl)furfurole 5-(hydroxymethyl)-2-furaldehyde 5-(hydroxymethyl)furan-2-carbaldehyde 5-HMF 5-Hydroxymethyl-2-formylfuran 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarbaldehyde 5-Hydroxymethyl-2-furfural 5-Hydroxymethylfuraldehyde 5-Hydroxymethylfuran-2-aldehyde 5-Hydroxymethylfurfuraldehyde 5-Oxymethylfurfurole HMF Hydroxymethylfurfural Hydroxymethylfurfuralaldehyde Hydroxymethylfurfuraldehyde Hydroxymethylfurfurole
kegg.compound:C11101 keggC:C11101 NOEGNKMFWQHSLB-UHFFFAOYSA-N	5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethylfurfural HMF
hmdb:HMDB0034355 NOEGNKMFWQHSLB-UHFFFAOYSA-N	5-Hydroxymethyl-2-furancarboxaldehyde 2-Formyl-5-hydroxymethylfuran 2-Hydroxymethyl-5-furfural 5-(Hyddroxymethyl)furfurole 5-(Hydroxymethyl)-2-formylfuran 5-(Hydroxymethyl)-2-furaldehyde 5-(Hydroxymethyl)-2-furancarbonal 5-(Hydroxymethyl)-2-furancarboxaldehyde 5-(Hydroxymethyl)-2-furfural 5-(Hydroxymethyl)-2-furfural (HMF) 5-(Hydroxymethyl)-2-furfuraldehyde 5-(Hydroxymethyl)furan-2-aldehyde 5-(Hydroxymethyl)furancarboxaldehyde 5-(Hydroxymethyl)furfural 5-(Hydroxymethyl)furfurole 5-(hydroxymethyl)furan-2-carbaldehyde 5-HM-2-F CPD 5-HMF 5-HMF CPD 5-Hydroxymethyl furaldehyde 5-Hydroxymethyl furfural 5-Hydroxymethyl-2-formylfuran 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarbaldehyde 5-Hydroxymethyl-2-furfural 5-Hydroxymethyl-furfural 5-Hydroxymethylfuraldehyde 5-Hydroxymethylfuran-2-aldehyde 5-Hydroxymethylfurfural 5-Hydroxymethylfurfuraldehyde 5-Hydroxymethylfurfurol 5-Hydrxoymethylfurfural 5-Methylolfurfural 5-Oxymethylfurfurole Aes-103 HMF Hydroxymethylfuraldehyde Hydroxymethylfurfural Hydroxymethylfurfuralaldehyde Hydroxymethylfurfuraldehyde Hydroxymethylfurfurole hydroxymethylfurfural
metacyc.compound:CPD-11572 metacycM:CPD-11572 NOEGNKMFWQHSLB-UHFFFAOYSA-N	5-hydroxymethylfurfural 5-(hydroxymethyl)-2-furaldehyde HMF (ambiguous)
seed.compound:cpd07983 seedM:cpd07983 NOEGNKMFWQHSLB-UHFFFAOYSA-N	HMF 5-(hydroxymethyl)-2-furaldehyde 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethylfurfural 5-hydroxymethylfurfural
hmdb:HMDB34355 chebi:2077 chebi:42598 keggC:M_C11101 seedM:M_cpd07983	secondary/obsolete/fantasy identifier