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

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ChEBI Name	taxa-4(20),11-dien-5α,13α-diol

ChEBI ID	CHEBI:30041

ChEBI ASCII Name	taxa-4(20),11-dien-5alpha,13alpha-diol

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:29682, CHEBI:15202, CHEBI:58625

Supplier Information

Download	Molfile XML SDF

Formulae

C20H32O2
C20H32O2

Net Charge

Average Mass

304.46690

Monoisotopic Mass

304.24023

InChI

InChI=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

InChIKey

VTDWDDILICLAEK-RDGCENLJSA-N

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

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
357436-25-0	CAS Registry Number	KEGG COMPOUND

Last Modified

18 June 2013