Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:73088 -
O
-formylcefamandole(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
O
-formylcefamandole(1−)
ChEBI ID
CHEBI:73088
ChEBI ASCII Name
O-formylcefamandole(1-)
Definition
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of
O
-formylcefamandole.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C19H17N6O6S2
Net Charge
-1
Average Mass
489.50500
Monoisotopic Mass
489.06565
InChI
InChI=1S/C19H18N6O6S2/c1-
24-
19(21-
22-
23-
24)
33-
8-
11-
7-
32-
17-
12(16(28)
25(17)
13(11)
18(29)
30)
20-
15(27)
14(31-
9-
26)
10-
5-
3-
2-
4-
6-
10/h2-
6,9,12,14,17H,7-
8H2,1H3,(H,20,27)
(H,29,30)
/p-
1/t12-
,14-
,17-
/m1/s1
InChIKey
RRJHESVQVSRQEX-SUYBPPKGSA-M
SMILES
[H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1
ChEBI Ontology
Outgoing
O
-formylcefamandole(1−) (
CHEBI:73088
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
O
-formylcefamandole(1−) (
CHEBI:73088
)
is conjugate base of
O
-formylcefamandole (
CHEBI:53654
)
Incoming
cefamandole nafate (
CHEBI:3481
)
has part
O
-formylcefamandole(1−) (
CHEBI:73088
)
O
-formylcefamandole (
CHEBI:53654
)
is conjugate acid of
O
-formylcefamandole(1−) (
CHEBI:73088
)
IUPAC Name
7β-
[(2
R
)-
2-
(formyloxy)-
2-
phenylacetamido]-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}ceph-
3-
em-
4-
carboxylate
Last Modified
03 April 2013