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:57511 - cephalosporin C(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
cephalosporin C(1−)
ChEBI ID
CHEBI:57511
ChEBI ASCII Name
cephalosporin C(1-)
Definition
Conjugate base of cephalosporin C.
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
C16H20N3O8S
Net Charge
-1
Average Mass
414.41000
Monoisotopic Mass
414.09766
InChI
InChI=1S/C16H21N3O8S/c1-
7(20)
27-
5-
8-
6-
28-
14-
11(13(22)
19(14)
12(8)
16(25)
26)
18-
10(21)
4-
2-
3-
9(17)
15(23)
24/h9,11,14H,2-
6,17H2,1H3,(H,18,21)
(H,23,24)
(H,25,26)
/p-
1/t9-
,11-
,14-
/m1/s1
InChIKey
HOKIDJSKDBPKTQ-GLXFQSAKSA-M
SMILES
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing
cephalosporin C(1−) (
CHEBI:57511
)
is a
cephalosporin carboxylic acid anion (
CHEBI:52440
)
cephalosporin C(1−) (
CHEBI:57511
)
is conjugate base of
cephalosporin C (
CHEBI:15776
)
Incoming
cephalosporin C (
CHEBI:15776
)
is conjugate acid of
cephalosporin C(1−) (
CHEBI:57511
)
IUPAC Name
(6
R
,7
R
)-
3-
[(acetyloxy)methyl]-
7-
{[(5
R
)-
5-
azaniumyl-
5-
carboxylatopentanoyl]amino}-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
Synonyms
Sources
cephalosporin C
UniProt
cephalosporin C anion
ChEBI
Last Modified
09 April 2015