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ChEBI
> Main
CHEBI:76800 - pikromycin(1+)
Main
ChEBI Ontology
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ChEBI Name
pikromycin(1+)
ChEBI ID
CHEBI:76800
Definition
An organic cation that is the conjugate acid of pikromycin, 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
C28H48NO8
Net Charge
+1
Average Mass
526.68260
Monoisotopic Mass
526.33744
InChI
InChI=1S/C28H47NO8/c1-
10-
22-
28(7,34)
12-
11-
21(30)
15(2)
13-
16(3)
25(18(5)
23(31)
19(6)
26(33)
36-
22)
37-
27-
24(32)
20(29(8)
9)
14-
17(4)
35-
27/h11-
12,15-
20,22,24-
25,27,32,34H,10,13-
14H2,1-
9H3/p+1/b12-
11+/t15-
,16+,17-
,18+,19-
,20+,22-
,24-
,25+,27+,28+/m1/s1
InChIKey
UZQBOFAUUTZOQE-VSLWXVDYSA-O
SMILES
CC[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
pikromycin(1+) (
CHEBI:76800
)
is a
ammonium ion derivative (
CHEBI:35274
)
pikromycin(1+) (
CHEBI:76800
)
is a
organic cation (
CHEBI:25697
)
pikromycin(1+) (
CHEBI:76800
)
is conjugate acid of
pikromycin (
CHEBI:29665
)
Incoming
pikromycin (
CHEBI:29665
)
is conjugate base of
pikromycin(1+) (
CHEBI:76800
)
IUPAC Name
(3
R
,5
R
,6
S
,7
S
,9
R
,11
E
,13
S
,14
R
)-
14-
ethyl-
13-
hydroxy-
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
pikromycin
UniProt
Manual Xref
Database
CPD-13835
MetaCyc
View more database links
Last Modified
11 March 2014