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CHEBI:44224 - (4S)-2-methylpentane-2,4-diol

ChEBI IDCHEBI:44224
ChEBI Name(4S)-2-methylpentane-2,4-diol
Stars
ASCII Name(4S)-2-methylpentane-2,4-diol
DefinitionA glycol that is the (S)-enantiomer of 2-methylpentane-2,4-diol.
Last Modified11 January 2017
DownloadsMolfile
FormulaC6H14O2
Net Charge0
Average Mass118.176
Monoisotopic Mass118.09938
SMILESC[C@H](O)CC(C)(C)O
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKeySVTBMSDMJJWYQN-YFKPBYRVSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
(4S)-2-methylpentane-2,4-diol (CHEBI:44224) has role epitope (CHEBI:53000)
(4S)-2-methylpentane-2,4-diol (CHEBI:44224) is a glycol (CHEBI:13643)
IUPAC Name 
(4S)-2-methylpentane-2,4-diol
Synonyms  Source
(4S)-2-methylpentane-2,4-diolPDBeChem
(4S)-2-METHYL-2,4-PENTANEDIOLPDBeChem
Manual XrefsDatabases
MPDPDBeChem
1SJXPDB
1I3GPDB
Registry NumbersSources
Reaxys:6051649Reaxys