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

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pentan-2-one

	Properties	Image
MNX_ID	MNXM4768
reference	chebi:16472
formula	C₅H₁₀O
global charge	0
mol weight	86.134
InChIKey	XNLICIUVMPYHGG-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
SMILES	CCCC(C)=O

MNX internals

InChI (mnx)	InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][C:5]([CH3:2])=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16472 chebi:16472 XNLICIUVMPYHGG-UHFFFAOYSA-N	pentan-2-one 2-Pentanone 2-pentanone Methyl propyl ketone Pentan-2-one
hmdb:HMDB0034235 XNLICIUVMPYHGG-UHFFFAOYSA-N	2-Pentanone 2-pentanone Ethyl acetone Ethylacetone FEMA 2842 MPK Methyl N-propyl ketone Methyl propyl ketone Methyl-N-propyl ketone Methyl-propyl-cetone Methylpropyl ketone Metylopropyloketon N-C3H7COCH3 N-Propyl methyl ketone PENTAN-2-one Pentanone Pentanone-2 Propyl methyl ketone pentan-2-one
sabiork.compound:2343 sabiorkM:2343 XNLICIUVMPYHGG-UHFFFAOYSA-N	2-Pentanone Methyl propyl ketone Pentan-2-one
seed.compound:cpd01339 seedM:cpd01339 XNLICIUVMPYHGG-UHFFFAOYSA-N	2-Pentanone Methyl propyl ketone Pentan-2-one pentan-2-one
vmhM:2pntn vmhmetabolite:2pntn XNLICIUVMPYHGG-UHFFFAOYSA-N	2-Pentanone pentan-2-one
kegg.compound:C01949 keggC:C01949 XNLICIUVMPYHGG-UHFFFAOYSA-N	Pentan-2-one 2-Pentanone Methyl propyl ketone
envipath:...6754b5fd3191 envipathM:...6754b5fd3191 XNLICIUVMPYHGG-UHFFFAOYSA-N	compound 0172941
metacyc.compound:PENTAN-2-ONE metacycM:PENTAN-2-ONE SLM:000597649 slm:000597649 XNLICIUVMPYHGG-UHFFFAOYSA-N	pentan-2-one
lipidmaps:LMFA12000003 lipidmapsM:LMFA12000003 XNLICIUVMPYHGG-UHFFFAOYSA-N	pentan-2-one pentan-2-one
hmdb:HMDB34235 chebi:14748 chebi:25886 chebi:7978 keggC:M_C01949 seedM:M_cpd01339 vmhM:M_2pntn	secondary/obsolete/fantasy identifier