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> Main
CHEBI:71339 - novobiocin(1−)
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ChEBI Ontology
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ChEBI Name
novobiocin(1−)
ChEBI ID
CHEBI:71339
ChEBI ASCII Name
novobiocin(1-)
Definition
An organic anion that is the conjugate base of novobiocin.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Eugeni Belda
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Formula
C31H35N2O11
Net Charge
-1
Average Mass
611.61640
Monoisotopic Mass
611.22463
InChI
InChI=1S/C31H36N2O11/c1-
14(2)
7-
8-
16-
13-
17(9-
11-
19(16)
34)
27(37)
33-
21-
22(35)
18-
10-
12-
20(15(3)
24(18)
42-
28(21)
38)
41-
29-
23(36)
25(43-
30(32)
39)
26(40-
6)
31(4,5)
44-
29/h7,9-
13,23,25-
26,29,34-
36H,8H2,1-
6H3,(H2,32,39)
(H,33,37)
/p-
1/t23-
,25+,26-
,29-
/m1/s1
InChIKey
YJQPYGGHQPGBLI-KGSXXDOSSA-M
SMILES
CO[C@@H]
1[C@@H]
(OC(N)
=O)
[C@@H]
(O)
[C@H]
(Oc2ccc3c([O-
]
)
c(NC(=O)
c4ccc(O)
c(CC=C(C)
C)
c4)
c(=O)
oc3c2C)
OC1(C)
C
ChEBI Ontology
Outgoing
novobiocin(1−) (
CHEBI:71339
)
is a
organic anion (
CHEBI:25696
)
novobiocin(1−) (
CHEBI:71339
)
is conjugate base of
novobiocin (
CHEBI:28368
)
Incoming
novobiocin (
CHEBI:28368
)
is conjugate acid of
novobiocin(1−) (
CHEBI:71339
)
Synonyms
Sources
novobiocin
UniProt
novobiocin anion
ChEBI
Citation
Type
Source
20212112
PubMed citation
SUBMITTER
Last Modified
14 June 2013