EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64265 - (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid

ChEBI IDCHEBI:64265
ChEBI Name(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid
Stars
ASCII Name(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid
DefinitionAn optically active form of 6-hydroxy-3,7-dimethyloctanoic acid, having (3R,6S)-configuration.
Last Modified22 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC10H20O3
Net Charge0
Average Mass188.267
Monoisotopic Mass188.14124
SMILESCC(C)[C@@H](O)CC[C@@H](C)CC(=O)O
InChIInChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyIQBGVZDRJBTLDN-BDAKNGLRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) is a 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) is conjugate acid of (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221)
Incoming Relation(s)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265)
IUPAC Name 
(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid
Registry NumbersSources
Reaxys:4372577Reaxys
Citations