CHEBI:16053 - 1β,3β,4α-p-menthane-3,8-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1β,3β,4α-p-menthane-3,8-diol
ChEBI ID CHEBI:16053
ChEBI ASCII Name 1beta,3beta,4alpha-p-menthane-3,8-diol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10627
Supplier Information
Download Molfile XML SDF
Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey LMXFTMYMHGYJEI-IWSPIJDZSA-N
SMILES C[C@@H]1CC[C@H]([C@H](O)C1)C(C)(C)O
ChEBI Ontology
Outgoing 1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053) is a 1r,3c,4t-p-menthane-3,8-diol (CHEBI:48249)
1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053) is enantiomer of 1α,3α,4β-p-menthane-3,8-diol (CHEBI:48251)
Incoming 1α,3α,4β-p-menthane-3,8-diol (CHEBI:48251) is enantiomer of 1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053)
IUPAC Name
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms Sources
(-)-3,8-p-Menthanediol KEGG COMPOUND
(1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol IUPAC
(1R,3R,4R)-2-hydroxy-α,α,4-trimethylcyclohexanemethanol ChemIDplus
(1R,3R,4R)-p-menthane-3,8-diol ChEBI
1,4-menthane-3,8-diol UniProt
Manual Xref Database
C00000148 KNApSAcK
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Registry Numbers Types Sources
2498244 Beilstein Registry Number Beilstein
5240317 Beilstein Registry Number Beilstein
91739-72-9 CAS Registry Number KEGG COMPOUND
91739-72-9 CAS Registry Number ChemIDplus
Last Modified
13 November 2017