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

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ChEBI Name (4S)-2-methylpentane-2,4-diol
ChEBI ID CHEBI:44224
ChEBI ASCII Name (4S)-2-methylpentane-2,4-diol
Definition A glycol that is the (S)-enantiomer of 2-methylpentane-2,4-diol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H14O2
Net Charge 0
Average Mass 118.17420
Monoisotopic Mass 118.09938
InChI InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKey SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES C[C@H](O)CC(C)(C)O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(4S)-2-METHYL-2,4-PENTANEDIOL PDBeChem
(4S)-2-methylpentane-2,4-diol PDBeChem
Manual Xrefs Databases
1I3G PDB
1SJX PDB
MPD PDBeChem
View more database links
Registry Number Type Source
6051649 Reaxys Registry Number Reaxys
Last Modified
11 January 2017