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

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propane-1,2-diol

	Properties	Image
MNX_ID	MNXM1364595
reference	chebi:16997
formula	C₃H₈O₂
global charge	0
mol weight	76.095
InChIKey	DNIAPMSPPWPWGF-UHFFFAOYSA-N
InChI	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
SMILES	CC(O)CO

MNX internals

InChI (mnx)	InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3?
SMILES (mnx)	[CH3:1][CH:3]([CH2:2][OH:4])[OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16997 chebi:16997 DNIAPMSPPWPWGF-UHFFFAOYSA-N	propane-1,2-diol 1,2-Propanediol 1,2-Propylenglykol 1,2-dihydroxypropane 2-hydroxypropanol CH3CH(OH)CH2OH HOCH2CH(OH)CH3 HOCH2CH(OH)Me MeCH(OH)CH2OH PPD Propane-1,2-diol Propylene glycol alpha-propyleneglycol isopropylene glycol methyl glycol methylethyl glycol methylethylene glycol monopropylene glycol
seed.compound:cpd00453 seedM:cpd00453 DNIAPMSPPWPWGF-UHFFFAOYSA-N	1,2-Propanediol 12ppd-S DL-12-Propanediol Propane-1,2-diol Propylene glycol
sabiork.compound:2107 sabiorkM:2107 DNIAPMSPPWPWGF-UHFFFAOYSA-N	1,2-Propanediol Propane-1,2-diol Propylene glycol
kegg.compound:C00583 keggC:C00583 DNIAPMSPPWPWGF-UHFFFAOYSA-N	Propane-1,2-diol 1,2-Propanediol Propylene glycol
kegg.drug:D00078 keggD:D00078 DNIAPMSPPWPWGF-UHFFFAOYSA-N	Propylene glycol (JP18/USP) Propylene glycol (TN)
envipath:...6a0f629eb0cd envipathM:...6a0f629eb0cd DNIAPMSPPWPWGF-UHFFFAOYSA-N	compound 0039715
metacyc.compound:DL-12-Propanediol metacycM:DL-12-Propanediol DNIAPMSPPWPWGF-UHFFFAOYSA-N	propane-1,2-diol 1,2-PDO 1,2-propanediol propylene glycol
chebi:14899 chebi:8469 keggC:M_C00583 keggD:M_D00078 seedM:M_cpd00453	secondary/obsolete/fantasy identifier