CHEBI:50387 - tuberculosinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tuberculosinol
ChEBI ID CHEBI:50387
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H34O
Net Charge 0
Average Mass 290.48340
Monoisotopic Mass 290.26097
InChI InChI=1S/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1
InChIKey VHFDWNJLUATPID-AHKHSGQUSA-N
SMILES C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC\C(C)=C\CO
ChEBI Ontology
Outgoing tuberculosinol (CHEBI:50387) is a diterpenoid (CHEBI:23849)
Incoming 1-tuberculosinyladenosine(1+) (CHEBI:85603) has functional parent tuberculosinol (CHEBI:50387)
tuberculosinyl diphosphate (CHEBI:50388) has functional parent tuberculosinol (CHEBI:50387)
IUPAC Name
(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-ol
Synonyms Sources
halima-5,6-dien-15-ol ChEBI
tuberculosinol UniProt
Last Modified
15 July 2015
General Comment
2008-08-07 PMID:15719101