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 Numbers Types Sources
6051649 Beilstein Registry Number Beilstein
6051649 Reaxys Registry Number Reaxys
Last Modified
11 January 2017