CHEBI:16812 - (S,S)-butane-2,3-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S,S)-butane-2,3-diol
ChEBI ID CHEBI:16812
ChEBI ASCII Name (S,S)-butane-2,3-diol
Definition The (S,S) diastereoisomer of butane-2,3-diol.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11023, CHEBI:445, CHEBI:18805
Supplier Information
Download Molfile XML SDF
Formula C4H10O2
Net Charge 0
Average Mass 90.12100
Monoisotopic Mass 90.06808
InChI InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKey OWBTYPJTUOEWEK-IMJSIDKUSA-N
SMILES C[C@H](O)[C@H](C)O
ChEBI Ontology
Outgoing (S,S)-butane-2,3-diol (CHEBI:16812) is a butane-2,3-diol (CHEBI:62064)
(S,S)-butane-2,3-diol (CHEBI:16812) is enantiomer of (R,R)-butane-2,3-diol (CHEBI:16982)
Incoming (R,R)-butane-2,3-diol (CHEBI:16982) is enantiomer of (S,S)-butane-2,3-diol (CHEBI:16812)
IUPAC Name
(2S,3S)-butane-2,3-diol
Synonyms Sources
(S,S)-(+)-2,3-butanediol NIST Chemistry WebBook
(S,S)-2,3-Butanediol KEGG COMPOUND
(S,S)-2,3-Butylene glycol KEGG COMPOUND
(S,S)-Butane-2,3-diol KEGG COMPOUND
(S,S)-butane-2,3-diol UniProt
Manual Xref Database
C03046 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1718899 Beilstein Registry Number Beilstein
19132-06-0 CAS Registry Number KEGG COMPOUND
19132-06-0 CAS Registry Number ChemIDplus
19132-06-0 CAS Registry Number NIST Chemistry WebBook
600810 Gmelin Registry Number Gmelin
Last Modified
11 August 2015