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

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propan-2-ol

	Properties	Image
MNX_ID	MNXM3085
reference	chebi:17824
formula	C₃H₈O
global charge	0
mol weight	60.096
InChIKey	KFZMGEQAYNKOFK-UHFFFAOYSA-N
InChI	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES	CC(C)O

MNX internals

InChI (mnx)	InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES (mnx)	[CH3:1][CH:3]([CH3:2])[OH:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17824 chebi:17824 KFZMGEQAYNKOFK-UHFFFAOYSA-N	propan-2-ol 1-methylethanol 1-methylethyl alcohol 2-Propanol 2-hydroxypropane IPA ISOPROPYL ALCOHOL Isopropanol Isopropyl alcohol Isopropylalkohol Propan-2-ol i-Propylalkohol i-propanol isopropyl alcohol sec-propanol
bigg.metabolite:2ppoh biggM:2ppoh envipath:...865fa0094c0e envipathM:...865fa0094c0e KFZMGEQAYNKOFK-UHFFFAOYSA-N	2-Propanol
seed.compound:cpd01269 seedM:cpd01269 KFZMGEQAYNKOFK-UHFFFAOYSA-N	2-Propanol 2-hydroxypropane 2-propanol 2ppoh Isopropanol Isopropyl alcohol Propan-2-ol iso-propylalcohol isopropanol propan-2-ol
sabiork.compound:2324 sabiorkM:2324 KFZMGEQAYNKOFK-UHFFFAOYSA-N	2-Propanol Isopropanol Propan-2-ol
vmhM:2ppoh vmhmetabolite:2ppoh KFZMGEQAYNKOFK-UHFFFAOYSA-N	Isopropanol propan-2-ol
kegg.drug:D00137 keggD:D00137 KFZMGEQAYNKOFK-UHFFFAOYSA-N	Isopropyl alcohol (USP) Isopro (TN) Isopropanol (JP18)
hmdb:HMDB0000863 KFZMGEQAYNKOFK-UHFFFAOYSA-N	Isopropyl alcohol 1-Methylethanol 1-Methylethyl alcohol 2 Propanol 2-Hydroxypropane 2-Propanol 2-Propyl alcohol Alcohol, isopropyl Alcohol, rubbing Alcojel Alkolave Avantin Avantine Hartosol I-propanol I-propylalkohol IPA ISOPROPYL alcohol Isopro Isopropanol Isopropylalkohol Lavaco Petrohol Rubbing alcohol Sec-propanol Takineocol isopropyl alcohol propan-2-ol
kegg.compound:C01845 keggC:C01845 KFZMGEQAYNKOFK-UHFFFAOYSA-N	Propan-2-ol 2-Propanol Isopropanol Isopropyl alcohol
envipath:...cf174dea6e87 envipathM:...cf174dea6e87 KFZMGEQAYNKOFK-UHFFFAOYSA-N	compound 0045344
SLM:000501120 slm:000501120 KFZMGEQAYNKOFK-UHFFFAOYSA-N	propan-2-ol
metacyc.compound:ISO-PROPANOL metacycM:ISO-PROPANOL KFZMGEQAYNKOFK-UHFFFAOYSA-N	propan-2-ol 2-hydroxypropane 2-propanol iso-propylalcohol isopropanol
hmdb:HMDB00863 chebi:14897 chebi:26280 chebi:43588 chebi:8467 biggM:M_2ppoh keggC:M_C01845 keggD:M_D00137 seedM:M_cpd01269 vmhM:M_2ppoh	secondary/obsolete/fantasy identifier