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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:30041 - taxa-4(20),11-dien-5α,13α-diol
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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
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Formulae
C20H32O2
C20H32O2
Net Charge
0
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.
View more via ChEBI Ontology
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
Synonyms
Sources
Taxa-4(20),11(12)-dien-5alpha,13alpha-diol
KEGG COMPOUND
taxa-4(20),11(12)-dien-5α,13α-diol
LIPID MAPS
taxa-4(20),11-dien-5α,13α-diol
UniProt
Manual Xrefs
Databases
C11897
KEGG COMPOUND
LMPR0104390005
LIPID MAPS
TAXA-42011-DIEN-5A13A-DIOL
MetaCyc
View more database links
Registry Number
Type
Source
357436-25-0
CAS Registry Number
KEGG COMPOUND
Last Modified
18 June 2013