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ChEBI
> Main
CHEBI:75267 - pipacycline(1+)
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ChEBI Ontology
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ChEBI Name
pipacycline(1+)
ChEBI ID
CHEBI:75267
Definition
An organic cation that is the conjugate acid of pipacycline.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C29H39N4O9
Net Charge
+1
Average Mass
587.64140
Monoisotopic Mass
587.27116
InChI
InChI=1S/C29H38N4O9/c1-
28(41)
15-
5-
4-
6-
18(35)
19(15)
23(36)
20-
16(28)
13-
17-
22(31(2)
3)
24(37)
21(26(39)
29(17,42)
25(20)
38)
27(40)
30-
14-
33-
9-
7-
32(8-
10-
33)
11-
12-
34/h4-
6,16-
17,22,34-
35,37-
38,41-
42H,7-
14H2,1-
3H3,(H,30,40)
/p+1/t16-
,17-
,22-
,28+,29-
/m0/s1
InChIKey
XATZHCXBMKRRDO-REHNUXHNSA-O
SMILES
[H+]
.[H]
[C@@]
12C[C@@]
3([H]
)
C(C(=O)
c4c(O)
cccc4[C@@]
3(C)
O)
=C(O)
[C@]
1(O)
C(=O)
C(C(=O)
NCN1CCN(CCO)
CC1)
=C(O)
[C@H]
2N(C)
C
ChEBI Ontology
Outgoing
pipacycline(1+) (
CHEBI:75267
)
is a
organic cation (
CHEBI:25697
)
pipacycline(1+) (
CHEBI:75267
)
is conjugate acid of
pipacycline (
CHEBI:75262
)
Incoming
penimepicycline (
CHEBI:75258
)
has part
pipacycline(1+) (
CHEBI:75267
)
pipacycline (
CHEBI:75262
)
is conjugate base of
pipacycline(1+) (
CHEBI:75267
)
Synonym
Source
pipacycline cation
ChEBI
Last Modified
20 August 2013