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ChEBI
> Main
CHEBI:77350 - neopikromycin(1+)
Main
ChEBI Ontology
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ChEBI Name
neopikromycin(1+)
ChEBI ID
CHEBI:77350
Definition
An organic cation obtained by protonation of the tertiary amino function of neopikromycin; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C28H48NO8
Net Charge
+1
Average Mass
526.68210
Monoisotopic Mass
526.33744
InChI
InChI=1S/C28H47NO8/c1-
14-
10-
11-
22(31)
15(2)
12-
16(3)
25(37-
28-
24(33)
21(29(8)
9)
13-
17(4)
35-
28)
18(5)
23(32)
19(6)
27(34)
36-
26(14)
20(7)
30/h10-
11,14-
21,24-
26,28,30,33H,12-
13H2,1-
9H3/p+1/b11-
10+/t14-
,15-
,16+,17-
,18+,19-
,20-
,21+,24-
,25+,26+,28+/m1/s1
InChIKey
SXXXXTQMWPXIES-VJNSTPMQSA-O
SMILES
C[C@@H]
(O)
[C@H]
1OC(=O)
[C@H]
(C)
C(=O)
[C@H]
(C)
[C@@H]
(O[C@@H]
2O[C@H]
(C)
C[C@@H]
([C@H]
2O)
[NH+]
(C)
C)
[C@@H]
(C)
C[C@@H]
(C)
C(=O)
\C=C\[C@H]
1C
Metabolite of Species
Details
Streptomyces venezuelae
(NCBI:txid54571)
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
neopikromycin(1+) (
CHEBI:77350
)
has role
bacterial metabolite (
CHEBI:76969
)
neopikromycin(1+) (
CHEBI:77350
)
is a
ammonium ion derivative (
CHEBI:35274
)
neopikromycin(1+) (
CHEBI:77350
)
is a
organic cation (
CHEBI:25697
)
neopikromycin(1+) (
CHEBI:77350
)
is conjugate acid of
neopikromycin (
CHEBI:85614
)
Incoming
neopikromycin (
CHEBI:85614
)
is conjugate base of
neopikromycin(1+) (
CHEBI:77350
)
IUPAC Name
(3
R
,5
R
,6
S
,7
S
,9
R
,11
E
,13
R
,14
S
)-
14-
[(1
R
)-
1-
hydroxyethyl]-
3,5,7,9,13-
pentamethyl-
2,4,10-
trioxo-
1-
oxacyclotetradec-
11-
en-
6-
yl 3,4,6-
trideoxy-
3-
(dimethylazaniumyl)-
β-
D
-
xylo
-
hexopyranoside
Synonym
Source
neopikromycin
UniProt
Manual Xref
Database
CPD-15997
MetaCyc
View more database links
Citation
Type
Source
16724858
PubMed citation
SUBMITTER
Last Modified
30 April 2015