CHEBI:29002 - (S)-propane-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-propane-1,2-diol
ChEBI ID CHEBI:29002
ChEBI ASCII Name (S)-propane-1,2-diol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:440, CHEBI:45065, CHEBI:18799
Supplier Information
Save molfile Download Molfile
more structures >>
Formula C3H8O2
Net Charge 0
Average Mass 76.09442
Monoisotopic Mass 76.052
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
InChIKey DNIAPMSPPWPWGF-VKHMYHEASA-N
SMILES C[C@H](O)CO
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
(via propane-1,2-diol )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via propane-1,2-diol )
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via propane-1,2-diol )
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via propane-1,2-diol )
Application(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
(via propane-1,2-diol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-propane-1,2-diol (CHEBI:29002) has role Escherichia coli metabolite (CHEBI:76971)
(S)-propane-1,2-diol (CHEBI:29002) has role human metabolite (CHEBI:77746)
(S)-propane-1,2-diol (CHEBI:29002) is a propane-1,2-diol (CHEBI:16997)
(S)-propane-1,2-diol (CHEBI:29002) is enantiomer of (R)-propane-1,2-diol (CHEBI:28972)
Incoming dapagliflozin propanediol monohydrate (CHEBI:85079) has part (S)-propane-1,2-diol (CHEBI:29002)
(R)-propane-1,2-diol (CHEBI:28972) is enantiomer of (S)-propane-1,2-diol (CHEBI:29002)
IUPAC Name
(2S)-propane-1,2-diol
Synonyms Sources
(S)-1,2-Propanediol KEGG COMPOUND
(S)-propane-1,2-diol ChEBI
(S)-Propane-1,2-diol KEGG COMPOUND
(S)-Propylene glycol KEGG COMPOUND
Database Links Databases
C02917 KEGG COMPOUND
DB04349 DrugBank
PGO PDBeChem
View more database links
Last Modified
25 January 2016