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CHEBI:30041 - taxa-4(20),11-dien-5α,13α-diol

Default Structure
ChEBI IDCHEBI:30041
ChEBI Nametaxa-4(20),11-dien-5α,13α-diol
Stars
ASCII Nametaxa-4(20),11-dien-5alpha,13alpha-diol
DefinitionA taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by hydroxy groups at the 5α and 13α positions.
Secondary ChEBI IDsCHEBI:15202, CHEBI:29682, CHEBI:58625
Last Modified18 June 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12C[C@H](O)C(C)=C(CC[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])C1)C2(C)C
InChIInChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1
InChIKeyVTDWDDILICLAEK-RDGCENLJSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
taxa-4(20),11-dien-5α,13α-diol (CHEBI:30041) has role metabolite (CHEBI:25212)
taxa-4(20),11-dien-5α,13α-diol (CHEBI:30041) is a diol (CHEBI:23824)
taxa-4(20),11-dien-5α,13α-diol (CHEBI:30041) is a secondary alcohol (CHEBI:35681)
taxa-4(20),11-dien-5α,13α-diol (CHEBI:30041) is a taxane diterpenoid (CHEBI:50367)
IUPAC Name 
(5α,13α)-taxa-4(20),11-diene-5,13-diol
Synonyms  Source
Taxa-4(20),11(12)-dien-5alpha,13alpha-diolKEGG COMPOUND
taxa-4(20),11(12)-dien-5α,13α-diolLIPID MAPS
UniProt Name  Source
taxa-4(20),11-dien-5α,13α-diolUniProt
Manual XrefsDatabases
C11897KEGG COMPOUND
LMPR0104390005LIPID MAPS
TAXA-42011-DIEN-5A13A-DIOLMetaCyc
Registry NumbersSources
CAS:357436-25-0KEGG COMPOUND