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CHEBI:299 - (R)-(+)-citronellal

Default Structure
ChEBI IDCHEBI:299
ChEBI Name(R)-(+)-citronellal
Stars
ASCII Name(R)-(+)-citronellal
DefinitionThe (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal).
Last Modified29 January 2015
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILES[H]C(=O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyNEHNMFOYXAPHSD-SNVBAGLBSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
(R)-(+)-citronellal (CHEBI:299) is a citronellal (CHEBI:47856)
(R)-(+)-citronellal (CHEBI:299) is enantiomer of (S)-(−)-citronellal (CHEBI:368)
Incoming Relation(s)
(S)-(−)-citronellal (CHEBI:368) is enantiomer of (R)-(+)-citronellal (CHEBI:299)
IUPAC Name 
(3R)-3,7-dimethyloct-6-enal
Synonyms  Source
(3R)-3,7-dimethyl-6-octenalChemIDplus
(3R)-(+)-citronellalNIST Chemistry WebBook
(R)-3,7-dimethyl-6-octenalNIST Chemistry WebBook
(R)-3,7-dimethyloct-6-enalChemIDplus
(R)-(+)-CitronellalKEGG COMPOUND
Manual XrefsDatabases
C00003037KNApSAcK
C09848KEGG COMPOUND
LMPR0102010007LIPID MAPS
Registry NumbersSources
Beilstein:1720791Beilstein
Beilstein:4654384Beilstein
Gmelin:985290Gmelin
CAS:2385-77-5ChemIDplus
CAS:2385-77-5KEGG COMPOUND
CAS:2385-77-5NIST Chemistry WebBook