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ChEBI
> Main
CHEBI:77351 - novapikromycin(1+)
Main
ChEBI Ontology
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ChEBI Name
novapikromycin(1+)
ChEBI ID
CHEBI:77351
Definition
An organic cation that is the conjugate acid of novapikromycin, obtained by protonation of the tertiary amino group; 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
C28H48NO9
Net Charge
+1
Average Mass
542.68150
Monoisotopic Mass
542.33236
InChI
InChI=1S/C28H47NO9/c1-
14-
12-
15(2)
24(37-
27-
23(33)
20(29(8)
9)
13-
16(3)
36-
27)
17(4)
22(32)
18(5)
26(34)
38-
25(19(6)
30)
28(7,35)
11-
10-
21(14)
31/h10-
11,14-
20,23-
25,27,30,33,35H,12-
13H2,1-
9H3/p+1/b11-
10+/t14-
,15+,16-
,17+,18-
,19-
,20+,23-
,24+,25-
,27+,28+/m1/s1
InChIKey
JGNNRPWTNULSRW-BLNRMBNUSA-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@]
1(C)
O
ChEBI Ontology
Outgoing
novapikromycin(1+) (
CHEBI:77351
)
is a
ammonium ion derivative (
CHEBI:35274
)
novapikromycin(1+) (
CHEBI:77351
)
is a
organic cation (
CHEBI:25697
)
novapikromycin(1+) (
CHEBI:77351
)
is conjugate acid of
novapikromycin (
CHEBI:77648
)
Incoming
novapikromycin (
CHEBI:77648
)
is conjugate base of
novapikromycin(1+) (
CHEBI:77351
)
IUPAC Name
(3
R
,5
R
,6
S
,7
S
,9
R
,11
E
,13
S
,14
R
)-
13-
hydroxy-
14-
[(1
R
)-
1-
hydroxyethyl]-
3,5,7,9,13-
pentamethyl-
2,4,10-
trioxooxacyclotetradec-
11-
en-
6-
yl 3,4,6-
trideoxy-
3-
(dimethylazaniumyl)-
β-
D
-
xylo
-
hexopyranoside
Synonym
Source
novapikromycin
UniProt
Manual Xref
Database
CPD-15996
MetaCyc
View more database links
Citation
Type
Source
16724858
PubMed citation
SUBMITTER
Last Modified
11 March 2014