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

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The Swiss Initiative in Systems Biology

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propane-1,2-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1118

Image of MNXM1118

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	10

formula

C₃H₈O₂

charge

0

mass

76.05243

reference

InChIKey

DNIAPMSPPWPWGF-UHFFFAOYSA-N

InChI

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

SMILES

CC(O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16997 chebi:16997	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	1,2-Propanediol 12ppd-S DL-12-Propanediol Propane-1,2-diol Propylene glycol
sabiork.compound:2107 sabiorkM:2107	1,2-Propanediol Propane-1,2-diol Propylene glycol
kegg.compound:C00583 keggC:C00583	Propane-1,2-diol 1,2-Propanediol Propylene glycol
kegg.drug:D00078 keggD:D00078	Propylene glycol (JP18/USP) Propylene glycol (TN)
hmdb:HMDB0001881	Propylene glycol (-)-1,2-Propanediol (-)-Propylene glycol (2R)-1,2-Propanediol (2R)-Propane-1,2-diol (2R)-propane-1,2-diol (R)-(-)-1,2-Propanediol (R)-1,2-Propanediol (R)-2-Hydroxy-1-propanol (R)-Propylene glycol 1,2-(RS)-Propanediol 1,2-Dihydroxypropane 1,2-Propanediol 1,2-Propylene glycol 1-Deoxy-sn-glycerol 2,3-Propanediol 2-Hydroxypropanol D-(-)-Propanediol Isopropylene glycol Methylethyl glycol Methylethylene glycol Monopropylene glycol R-(-)-1,2-Propanediol R-(-)-Propylene glycol R-1,2-PROPANEDIOL R-1,2-propanediol alpha-Propylene glycol
envipath:...6a0f629eb0cd envipathM:...6a0f629eb0cd	compound 0039715
metacyc.compound:DL-12-Propanediol metacycM:DL-12-Propanediol	propane-1,2-diol 1,2-PDO 1,2-propanediol propylene glycol
hmdb:HMDB01881 chebi:14899 chebi:8469 keggC:M_C00583 keggD:M_D00078 seedM:M_cpd00453	secondary/obsolete/fantasy identifier