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:31469 - desmethyldescarbamoylnovobiocin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
desmethyldescarbamoylnovobiocin
ChEBI ID
CHEBI:31469
Definition
A hydroxycoumarin that is novobiocin lacking the 3-
O
-carbamoyl and 4-
O
-methyl groups from the hexose ring.
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
C29H33NO10
Net Charge
0
Average Mass
555.57300
Monoisotopic Mass
555.21045
InChI
InChI=1S/C29H33NO10/c1-
13(2)
6-
7-
15-
12-
16(8-
10-
18(15)
31)
26(36)
30-
20-
21(32)
17-
9-
11-
19(14(3)
24(17)
39-
27(20)
37)
38-
28-
23(34)
22(33)
25(35)
29(4,5)
40-
28/h6,8-
12,22-
23,25,28,31-
35H,7H2,1-
5H3,(H,30,36)
/t22-
,23+,25+,28+/m0/s1
InChIKey
ZCIRPBAEIIAERP-ZJTSJXPUSA-N
SMILES
CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c2oc1=O
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
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
has role
metabolite (
CHEBI:25212
)
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
is a
benzamides (
CHEBI:22702
)
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
is a
hexoside (
CHEBI:35313
)
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
is a
hydroxycoumarin (
CHEBI:37912
)
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
is a
monosaccharide derivative (
CHEBI:63367
)
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
is conjugate acid of
desmethyldescarbamoylnovobiocin(1−) (
CHEBI:73957
)
Incoming
desmethyldescarbamoylnovobiocin(1−) (
CHEBI:73957
)
is conjugate base of
desmethyldescarbamoylnovobiocin (
CHEBI:31469
)
IUPAC Name
N
-
{7-
[(6-
deoxy-
5-
methyl-
β-
D
-
gulopyranosyl)oxy]-
4-
hydroxy-
8-
methyl-
2-
oxo-
2
H
-
chromen-
3-
yl}-
4-
hydroxy-
3-
(3-
methylbut-
2-
en-
1-
yl)benzamide
Synonyms
Sources
demethyldecarbamoylnovobiocin
ChEBI
Desmethyldescarbamoylnovobiocin
KEGG COMPOUND
Manual Xref
Database
C12475
KEGG COMPOUND
View more database links
Registry Number
Type
Source
10226252
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14694473
PubMed citation
Europe PMC
19857499
PubMed citation
Europe PMC
5680046
PubMed citation
Europe PMC
Last Modified
07 June 2013