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propane-1,3-diol

PropertiesImage
MNX_IDMNXM2861 Image of MNXM2861
referencechebi:16109
formulaC3H8O2
global charge0
mol weight76.095
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
SMILESOCCCO
MNX internals
InChI (mnx)InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 Image of MNXM2861
SMILES (mnx)[CH2:1]([CH2:2][OH:4])[CH2:3][OH:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16109
chebi:16109
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		propane-1,3-diol
(HOCH2)2CH2
1,3-PROPANDIOL
1,3-Propanediol
1,3-dihydroxypropane
1,3-propylene glycol
1,3-propylenediol
2-(hydroxymethyl)ethanol
2-deoxyglycerol
CH2(CH2OH)2
HO(CH2)3OH
HOCH2CH2CH2OH
Propane-1,3-diol
Trimethylene glycol
beta-propylene glycol
omega-propanediol

bigg.metabolite:13ppd
biggM:13ppd 		1,3-Propanediol

seed.compound:cpd01618
seedM:cpd01618
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		1,3-Propanediol
1,3-propanediol
PDO
Propane-1,3-diol
TMG
Trimethylene glycol
propane-1,3-diol

sabiork.compound:2417
sabiorkM:2417
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		1,3-Propanediol
Propane-1,3-diol
Trimethylene glycol

metacyc.compound:CPD-347
metacycM:CPD-347
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		1,3-propanediol
PDO
TMG
Trimethylene glycol
propane-1,3-diol

kegg.compound:C02457
keggC:C02457
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		Propane-1,3-diol
1,3-Propanediol
Trimethylene glycol

vmhM:13ppd
vmhmetabolite:13ppd
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		Propane-1,3-diol
Drugbank website:automatic:01-Jul-2022 01:18:14

envipath:...6d9a36411041
envipathM:...6d9a36411041
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		compound 0040753

envipath:...6da6cf0fadc8
envipathM:...6da6cf0fadc8
YPFDHNVEDLHUCE-UHFFFAOYSA-N 		compound 0050193

chebi:14902
chebi:26286
chebi:44868
chebi:8471
biggM:M_13ppd
keggC:M_C02457
seedM:M_cpd01618
vmhM:M_13ppd 		secondary/obsolete/fantasy identifier