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CHEBI:141850 - (S)-β-macrocarpen-15-ol

ChEBI IDCHEBI:141850
ChEBI Name(S)-β-macrocarpen-15-ol
Stars
ASCII Name(S)-beta-macrocarpen-15-ol
DefinitionA sesquiterpenoid that is (S)-β-macrocarpene in which a hydrogen of the methyl group that is attached to a double bond has been replaced by a hydroxy group. The first step in the biosynthesis of the sesquiterpene phytoalexin zealexin A1 from (S)-β-macrocarpene in maize.
Last Modified26 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILES[H][C@@]1(C2=CCCC(C)(C)C2)CC=C(CO)CC1
InChIInChI=1S/C15H24O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,13,16H,3,6-11H2,1-2H3/t13-/m1/s1
InChIKeyTWLSWZMXZCBDMX-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-β-macrocarpen-15-ol (CHEBI:141850) has functional parent (S)-β-macrocarpene (CHEBI:61344)
(S)-β-macrocarpen-15-ol (CHEBI:141850) is a primary allylic alcohol (CHEBI:134394)
(S)-β-macrocarpen-15-ol (CHEBI:141850) is a sesquiterpenoid (CHEBI:26658)
Incoming Relation(s)
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) has functional parent (S)-β-macrocarpen-15-ol (CHEBI:141850)
zealexin A1 (CHEBI:142278) has functional parent (S)-β-macrocarpen-15-ol (CHEBI:141850)
IUPAC Name 
[(1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-dien]-4-yl]methanol
Synonym  Source
(S)-β-macrocarpen-15-olChEBI
UniProt Name  Source
[(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-en-1-yl]methanolUniProt
Manual XrefsDatabases
CPD-13626MetaCyc
Registry NumbersSources
Reaxys:28861711Reaxys
Citations