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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:23064 - cephalosporanic acid
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ChEBI Name
cephalosporanic acid
ChEBI ID
CHEBI:23064
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H11NO5S
Net Charge
0
Average Mass
257.26408
Monoisotopic Mass
257.03579
InChI
InChI=1S/C10H11NO5S/c1-5(12)16-3-6-4-17-8-2-7(13)11(8)9(6)10(14)15/h8H,2-4H2,1H3,(H,14,15)/t8-/m1/s1
InChIKey
YGBFLZPYDUKSPT-MRVPVSSYSA-N
SMILES
[H][C@@]12CC(=O)N1C(C(O)=O)=C(COC(C)=O)CS2
Roles Classification
Biological Role
(s):
drug allergen
Any drug which causes the onset of an allergic reaction.
(via
cephalosporin
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
Application
(s):
drug allergen
Any drug which causes the onset of an allergic reaction.
(via
cephalosporin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cephalosporanic acid (
CHEBI:23064
)
is a
cephalosporin (
CHEBI:23066
)
Incoming
(7
R
)-7-(4-carboxybutanamido)cephalosporanic acid (
CHEBI:41425
)
has functional parent
cephalosporanic acid (
CHEBI:23064
)
7β-aminocephalosporanic acid (
CHEBI:2255
)
has functional parent
cephalosporanic acid (
CHEBI:23064
)
7β-aminodeacetoxycephalosporanic acid (
CHEBI:64984
)
has functional parent
cephalosporanic acid (
CHEBI:23064
)
cephalosporin C (
CHEBI:15776
)
has functional parent
cephalosporanic acid (
CHEBI:23064
)
IUPAC Name
(6
R
)-3-[(acetyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Last Modified
20 June 2012