Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:81874 - nogalaviketone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
nogalaviketone
ChEBI ID
CHEBI:81874
Definition
A methyl ester derived from (1
R
,2
S
)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C21H16O8
Net Charge
0
Average Mass
396.34690
Monoisotopic Mass
396.08452
InChI
InChI=1S/C21H16O8/c1-
21(28)
7-
12(23)
14-
9(16(21)
20(27)
29-
2)
6-
10-
15(19(14)
26)
18(25)
13-
8(17(10)
24)
4-
3-
5-
11(13)
22/h3-
6,16,22,26,28H,7H2,1-
2H3/t16-
,21-
/m0/s1
InChIKey
NIJCZTKHKOATFT-KKSFZXQISA-N
SMILES
COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2C(=O)C[C@]1(C)O
Metabolite of Species
Details
Streptomyces galilaeus
(NCBI:txid33899)
See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nogalaviketone (
CHEBI:81874
)
has role
bacterial metabolite (
CHEBI:76969
)
nogalaviketone (
CHEBI:81874
)
is a
p
-quinones (
CHEBI:25830
)
nogalaviketone (
CHEBI:81874
)
is a
methyl ester (
CHEBI:25248
)
nogalaviketone (
CHEBI:81874
)
is a
polyketide (
CHEBI:26188
)
nogalaviketone (
CHEBI:81874
)
is a
tertiary alcohol (
CHEBI:26878
)
nogalaviketone (
CHEBI:81874
)
is a
tetracenequinones (
CHEBI:51286
)
nogalaviketone (
CHEBI:81874
)
is a
tetracenes (
CHEBI:51270
)
nogalaviketone (
CHEBI:81874
)
is conjugate acid of
nogalaviketone(1−) (
CHEBI:84342
)
Incoming
nogalaviketone(1−) (
CHEBI:84342
)
is conjugate base of
nogalaviketone (
CHEBI:81874
)
IUPAC Name
methyl (1
R
,2
S
)-
2,5,7-
trihydroxy-
2-
methyl-
4,6,11-
trioxo-
1,2,3,4,6,11-
hexahydrotetracene-
1-
carboxylate
Manual Xrefs
Databases
C18630
KEGG COMPOUND
CPD-15808
MetaCyc
View more database links
Citation
Type
Source
16414075
PubMed citation
Europe PMC
Last Modified
06 June 2016