The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

monothioglycerol

Synonyms

1-mercaptoglycerol

alpha-thiolglycerol

1-thio-2,3-propanediol

monothioglycerol

1-mercapto-2,3-propanediol

C3H8O2S

thioglycerin

1-thioglycerol

3-mercapto-1,2-propanediol

monothioglycerin

3-mercaptopropane-1,2-diol

3-sulfanylpropane-1,2-diol

1-monothioglycerol

2,3-dihydroxypropanethiol

(2R)-3-sulfanylpropane-1,2-diol

thioglycerol

thioglycerine

ID

http://purl.obolibrary.org/obo/CHEBI_74537

binds

http://purl.obolibrary.org/obo/dinto_3393

Definition

A thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group.

has role

http://purl.obolibrary.org/obo/CHEBI_73336

http://purl.obolibrary.org/obo/CHEBI_63247

InChI

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

InChIKey

InChIKey=PJUIMOJAAPLTRJ-GSVOUGTGSA-N

InChIKey=PJUIMOJAAPLTRJ-UHFFFAOYSA-N

label

monothioglycerol

prefixIRI

obo2:CHEBI_74537

prefLabel

monothioglycerol

related with

http://purl.obolibrary.org/obo/dinto_3393

SMILES

OCC(O)CS

OC[C@@H](O)CS

Synonym

1-mercaptoglycerol

alpha-thiolglycerol

1-thio-2,3-propanediol

monothioglycerol

1-mercapto-2,3-propanediol

C3H8O2S

thioglycerin

1-thioglycerol

3-mercapto-1,2-propanediol

monothioglycerin

3-mercaptopropane-1,2-diol

3-sulfanylpropane-1,2-diol

1-monothioglycerol

2,3-dihydroxypropanethiol

(2R)-3-sulfanylpropane-1,2-diol

thioglycerol

thioglycerine

xref

CiteXplore:6166247

Reaxys:1732046

PubChem Compound:447638

Wikipedia:3-Mercaptopropane-1,2-diol

CiteXplore:6362560

CiteXplore:922117

PubChem Substance:46508507

MetaCyc:CPD0-1951

CiteXplore:6362561

NIST Chemistry WebBook:96-27-5

CiteXplore:18586770

ChEMBL:922832

KEGG DRUG:D05075

PDB:SGM

CASRN:96-27-5

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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