CHEBI:179172 - 4S-Methylhexan-3R-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4S-Methylhexan-3R-ol
ChEBI ID CHEBI:179172
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H16O
Net Charge 0
Average Mass 116.204
Monoisotopic Mass 116.12012
InChI InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey NZPGYIBESMMUFU-NKWVEPMBSA-N
SMILES O[C@@H]([C@H](CC)C)CC
ChEBI Ontology
Outgoing 4S-Methylhexan-3R-ol (CHEBI:179172) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3R,4S)-4-methylhexan-3-ol
Manual Xrefs Databases
9106653 ChemSpider
LMFA05000461 LIPID MAPS
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