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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:51:59 UTC
HMDB IDHMDB0015423
Secondary Accession Numbers
  • HMDB15423
Metabolite Identification
Common NameCefonicid
DescriptionCefonicid is only found in individuals that have used or taken this drug. It is a second-generation cephalosporin administered intravenously or intramuscularly. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections. [PubChem]Cefonicid, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.
Structure
Data?1582753295
Synonyms
ValueSource
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEBI
CefonicidoChEBI
CefonicidumChEBI
MonocefKegg
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulphomethyl)-1H-tetrazol-5-yl]sulphanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulphomethyl)-1H-tetrazol-5-yl]sulphanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidGenerator
Cefonicid, sodiumHMDB
SK And F 75073HMDB
Cefonicid monosodiumHMDB
MonocidHMDB
SK And F75073HMDB
Sodium cefonicidHMDB
SK And F-75073HMDB
Cefonicid disodium saltHMDB
Cefonicid monosodium saltHMDB
Chemical FormulaC18H18N6O8S3
Average Molecular Weight542.566
Monoisotopic Molecular Weight542.034823652
IUPAC Name(6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namecefonicid
CAS Registry Number61270-58-4
SMILES
[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O
InChI Identifier
InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1
InChI KeyDYAIAHUQIPBDIP-AXAPSJFSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentCephalosporins
Alternative Parents
Substituents
  • Cephalosporin
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Phenylacetamide
  • Aryl thioether
  • Alkylarylthioether
  • Meta-thiazine
  • Monocyclic benzene moiety
  • Benzenoid
  • Azole
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Organosulfonic acid
  • Sulfonyl
  • Tertiary carboxylic acid amide
  • Tetrazole
  • Heteroaromatic compound
  • Alkanesulfonic acid
  • Carboxamide group
  • Azetidine
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Dialkylthioether
  • Azacycle
  • Sulfenyl compound
  • Hemithioaminal
  • Thioether
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Carbonyl group
  • Aromatic alcohol
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.9 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.9 g/LALOGPS
logP-0.71ALOGPS
logP-2.5ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)-1.4ChemAxon
pKa (Strongest Basic)-2.1ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area204.91 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity136.58 m³·mol⁻¹ChemAxon
Polarizability47.96 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+217.39531661259
DarkChem[M-H]-203.69331661259
DeepCCS[M-2H]-237.11330932474
DeepCCS[M+Na]+212.98830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefonicid[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O6271.6Standard polar33892256
Cefonicid[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O2916.5Standard non polar33892256
Cefonicid[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O4740.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefonicid,1TMS,isomer #1C[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)C1=CC=CC=C14478.4Semi standard non polar33892256
Cefonicid,1TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N124464.2Semi standard non polar33892256
Cefonicid,1TMS,isomer #3C[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)C3=CC=CC=C3)[C@H]2SC14563.2Semi standard non polar33892256
Cefonicid,1TMS,isomer #4C[Si](C)(C)N(C(=O)[C@H](O)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]124383.0Semi standard non polar33892256
Cefonicid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N124355.7Semi standard non polar33892256
Cefonicid,2TMS,isomer #2C[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)C1=CC=CC=C14419.1Semi standard non polar33892256
Cefonicid,2TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C14288.9Semi standard non polar33892256
Cefonicid,2TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N124413.0Semi standard non polar33892256
Cefonicid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124267.2Semi standard non polar33892256
Cefonicid,2TMS,isomer #6C[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)[C@H]2SC14304.5Semi standard non polar33892256
Cefonicid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N124365.3Semi standard non polar33892256
Cefonicid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N124370.4Standard non polar33892256
Cefonicid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N126694.7Standard polar33892256
Cefonicid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124249.8Semi standard non polar33892256
Cefonicid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124053.6Standard non polar33892256
Cefonicid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N126529.3Standard polar33892256
Cefonicid,3TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C14278.0Semi standard non polar33892256
Cefonicid,3TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C14432.9Standard non polar33892256
Cefonicid,3TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C16475.4Standard polar33892256
Cefonicid,3TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124263.9Semi standard non polar33892256
Cefonicid,3TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124458.6Standard non polar33892256
Cefonicid,3TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N126705.1Standard polar33892256
Cefonicid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124265.4Semi standard non polar33892256
Cefonicid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124519.8Standard non polar33892256
Cefonicid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N126131.6Standard polar33892256
Cefonicid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)C1=CC=CC=C14661.7Semi standard non polar33892256
Cefonicid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N124661.6Semi standard non polar33892256
Cefonicid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)C3=CC=CC=C3)[C@H]2SC14715.2Semi standard non polar33892256
Cefonicid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)[C@H](O)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]124576.5Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N124732.6Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CC=C14744.9Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C14663.1Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N124760.5Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N124653.0Semi standard non polar33892256
Cefonicid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)[C@H]2SC14645.3Semi standard non polar33892256
Cefonicid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N124859.1Semi standard non polar33892256
Cefonicid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N125093.6Standard non polar33892256
Cefonicid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N126570.2Standard polar33892256
Cefonicid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N124773.4Semi standard non polar33892256
Cefonicid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N124688.7Standard non polar33892256
Cefonicid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N126443.4Standard polar33892256
Cefonicid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C14766.5Semi standard non polar33892256
Cefonicid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C15163.1Standard non polar33892256
Cefonicid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C16360.8Standard polar33892256
Cefonicid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N124778.1Semi standard non polar33892256
Cefonicid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N125163.1Standard non polar33892256
Cefonicid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N126556.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-2900000000-0f023e45b6dcbb96b8f82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (2 TMS) - 70eV, Positivesplash10-0a4i-1900000000-e57acd704a67de65d6f42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefonicid GC-MS ("Cefonicid,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 10V, Positive-QTOFsplash10-0a4l-3639630000-edb94fec4c8e3c3c9ef22016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 20V, Positive-QTOFsplash10-0a4i-3819200000-ae0e6f76ccc46cab67172016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 40V, Positive-QTOFsplash10-00di-1391000000-37a6bd3ea2eff17847262016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 10V, Negative-QTOFsplash10-0006-1900210000-a96fc252446e5aec5fe32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 20V, Negative-QTOFsplash10-001u-5910000000-f6c5668ade25379c3cd52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 40V, Negative-QTOFsplash10-054o-9511000000-e177544f8b846bb0801b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 10V, Positive-QTOFsplash10-002f-0106090000-927559d70ec868f83a522021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 20V, Positive-QTOFsplash10-0fc0-1609540000-f840e0bd348e7a62c4dc2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 40V, Positive-QTOFsplash10-000w-7796400000-1b7baf530da5f07427a42021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 10V, Negative-QTOFsplash10-0a4i-0200090000-4f5d5c4250ca75bbebae2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 20V, Negative-QTOFsplash10-0006-4709550000-71a0f5eb7f986a18a19a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefonicid 40V, Negative-QTOFsplash10-014i-3900000000-0fcb87d12a6574832b292021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01328 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01328 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01328
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID39734
KEGG Compound IDC06882
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefonicid
METLIN IDNot Available
PubChem Compound43594
PDB IDNot Available
ChEBI ID3491
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available