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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:38 UTC
HMDB IDHMDB0014499
Secondary Accession Numbers
  • HMDB14499
Metabolite Identification
Common NameAztreonam
DescriptionAztreonam is only found in individuals that have used or taken this drug. It is a monocyclic beta-lactam antibiotic originally isolated from Chromobacterium violaceum. It is resistant to beta-lactamases and is used in gram-negative infections, especially of the meninges, bladder, and kidneys. It may cause a superinfection with gram-positive organisms. [PubChem]The bactericidal action of aztreonam results from the inhibition of bacterial cell wall synthesis due to a high affinity of aztreonam for penicillin binding protein 3 (PBP3). By binding to PBP3, aztreonam 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. It is possible that aztreonam interferes with an autolysin inhibitor.
Structure
Data?1582753186
Synonyms
ValueSource
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acidChEBI
AzactamChEBI
AZTChEBI
AztreonamumChEBI
PrimbactamChEBI
MonobactamKegg
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionateGenerator
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulphO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionateGenerator
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulphO-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acidGenerator
Az threonamHMDB
Aztreonam esteve brandHMDB
Bristol myers squibb brand OF aztreonamHMDB
Az-threonamHMDB
Esteve brand OF aztreonamHMDB
Sanofi winthrop brand OF aztreonamHMDB
Squibb brand OF aztreonamHMDB
AzthreonamHMDB
Aztreonam squibb brandHMDB
Bristol-myers squibb brand OF aztreonamHMDB
UrobactamHMDB
Chemical FormulaC13H17N5O8S2
Average Molecular Weight435.433
Monoisotopic Molecular Weight435.051853925
IUPAC Name2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid
Traditional Nameaztreonam
CAS Registry Number78110-38-0
SMILES
[H]OC(=O)C(O\N=C(/C(=O)N([H])[C@]1([H])C(=O)N([C@@]1([H])C([H])([H])[H])S(=O)(=O)O[H])C1=C([H])SC(=N1)N([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChI Identifier
InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
InChI KeyWZPBZJONDBGPKJ-VEHQQRBSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monobactams. Monobactams are compounds comprising beta-lactam ring is alone and not fused to another ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentMonobactams
Alternative Parents
Substituents
  • Monobactam
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • 2,4-disubstituted 1,3-thiazole
  • 1,3-thiazol-2-amine
  • Organic sulfuric acid or derivatives
  • Azole
  • Heteroaromatic compound
  • Thiazole
  • Amino acid or derivatives
  • Azetidine
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Organic zwitterion
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.043 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available197.395http://allccs.zhulab.cn/database/detail?ID=AllCCS00000965
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.043 g/LALOGPS
logP0.01ALOGPS
logP-1.9ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)-1.9ChemAxon
pKa (Strongest Basic)4.14ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area201.58 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity92.99 m³·mol⁻¹ChemAxon
Polarizability39.7 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+197.02831661259
DarkChem[M-H]-194.75931661259
DeepCCS[M+H]+191.58530932474
DeepCCS[M-H]-189.86130932474
DeepCCS[M-2H]-223.89630932474
DeepCCS[M+Na]+197.91430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Aztreonam[H]OC(=O)C(O\N=C(/C(=O)N([H])[C@]1([H])C(=O)N([C@@]1([H])C([H])([H])[H])S(=O)(=O)O[H])C1=C([H])SC(=N1)N([H])[H])(C([H])([H])[H])C([H])([H])[H]4146.6Standard polar33892256
Aztreonam[H]OC(=O)C(O\N=C(/C(=O)N([H])[C@]1([H])C(=O)N([C@@]1([H])C([H])([H])[H])S(=O)(=O)O[H])C1=C([H])SC(=N1)N([H])[H])(C([H])([H])[H])C([H])([H])[H]2619.1Standard non polar33892256
Aztreonam[H]OC(=O)C(O\N=C(/C(=O)N([H])[C@]1([H])C(=O)N([C@@]1([H])C([H])([H])[H])S(=O)(=O)O[H])C1=C([H])SC(=N1)N([H])[H])(C([H])([H])[H])C([H])([H])[H]2885.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aztreonam,1TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O3230.9Semi standard non polar33892256
Aztreonam,1TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3279.9Semi standard non polar33892256
Aztreonam,1TMS,isomer #3C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3222.6Semi standard non polar33892256
Aztreonam,1TMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3157.7Semi standard non polar33892256
Aztreonam,2TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3241.1Semi standard non polar33892256
Aztreonam,2TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3622.9Standard non polar33892256
Aztreonam,2TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C5888.9Standard polar33892256
Aztreonam,2TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3189.8Semi standard non polar33892256
Aztreonam,2TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3588.8Standard non polar33892256
Aztreonam,2TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O5860.6Standard polar33892256
Aztreonam,2TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3132.9Semi standard non polar33892256
Aztreonam,2TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3604.5Standard non polar33892256
Aztreonam,2TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O5757.7Standard polar33892256
Aztreonam,2TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3270.5Semi standard non polar33892256
Aztreonam,2TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3629.1Standard non polar33892256
Aztreonam,2TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C5854.0Standard polar33892256
Aztreonam,2TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3145.8Semi standard non polar33892256
Aztreonam,2TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3630.9Standard non polar33892256
Aztreonam,2TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C5795.8Standard polar33892256
Aztreonam,2TMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3171.0Semi standard non polar33892256
Aztreonam,2TMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3605.9Standard non polar33892256
Aztreonam,2TMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O5793.6Standard polar33892256
Aztreonam,2TMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3171.7Semi standard non polar33892256
Aztreonam,2TMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3690.4Standard non polar33892256
Aztreonam,2TMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O5926.1Standard polar33892256
Aztreonam,3TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3271.4Semi standard non polar33892256
Aztreonam,3TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3719.3Standard non polar33892256
Aztreonam,3TMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C5339.3Standard polar33892256
Aztreonam,3TMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3166.3Semi standard non polar33892256
Aztreonam,3TMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3735.4Standard non polar33892256
Aztreonam,3TMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C5400.2Standard polar33892256
Aztreonam,3TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3175.4Semi standard non polar33892256
Aztreonam,3TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3688.5Standard non polar33892256
Aztreonam,3TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O5232.5Standard polar33892256
Aztreonam,3TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3202.4Semi standard non polar33892256
Aztreonam,3TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O3778.6Standard non polar33892256
Aztreonam,3TMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O5366.7Standard polar33892256
Aztreonam,3TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3239.4Semi standard non polar33892256
Aztreonam,3TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3731.9Standard non polar33892256
Aztreonam,3TMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C5265.1Standard polar33892256
Aztreonam,3TMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3242.3Semi standard non polar33892256
Aztreonam,3TMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3813.0Standard non polar33892256
Aztreonam,3TMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C5417.5Standard polar33892256
Aztreonam,3TMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3160.3Semi standard non polar33892256
Aztreonam,3TMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3796.9Standard non polar33892256
Aztreonam,3TMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O5313.8Standard polar33892256
Aztreonam,4TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3256.4Semi standard non polar33892256
Aztreonam,4TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3828.4Standard non polar33892256
Aztreonam,4TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C4798.9Standard polar33892256
Aztreonam,4TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3273.7Semi standard non polar33892256
Aztreonam,4TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C3911.0Standard non polar33892256
Aztreonam,4TMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C4952.5Standard polar33892256
Aztreonam,4TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3182.8Semi standard non polar33892256
Aztreonam,4TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O3872.1Standard non polar33892256
Aztreonam,4TMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O4787.6Standard polar33892256
Aztreonam,4TMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3242.6Semi standard non polar33892256
Aztreonam,4TMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3921.2Standard non polar33892256
Aztreonam,4TMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C4888.6Standard polar33892256
Aztreonam,5TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C3283.5Semi standard non polar33892256
Aztreonam,5TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C4009.8Standard non polar33892256
Aztreonam,5TMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C)C2=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C4479.1Standard polar33892256
Aztreonam,1TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O3446.1Semi standard non polar33892256
Aztreonam,1TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3462.8Semi standard non polar33892256
Aztreonam,1TBDMS,isomer #3C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O3411.0Semi standard non polar33892256
Aztreonam,1TBDMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3389.9Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3663.5Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4170.0Standard non polar33892256
Aztreonam,2TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5746.3Standard polar33892256
Aztreonam,2TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O3608.3Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O4154.6Standard non polar33892256
Aztreonam,2TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O5655.3Standard polar33892256
Aztreonam,2TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3584.3Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4150.2Standard non polar33892256
Aztreonam,2TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O5623.3Standard polar33892256
Aztreonam,2TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3662.6Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4178.1Standard non polar33892256
Aztreonam,2TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5694.1Standard polar33892256
Aztreonam,2TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3572.4Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4157.5Standard non polar33892256
Aztreonam,2TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5659.5Standard polar33892256
Aztreonam,2TBDMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3558.9Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4155.4Standard non polar33892256
Aztreonam,2TBDMS,isomer #6C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O5591.0Standard polar33892256
Aztreonam,2TBDMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O3614.4Semi standard non polar33892256
Aztreonam,2TBDMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O4192.7Standard non polar33892256
Aztreonam,2TBDMS,isomer #7C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O5725.3Standard polar33892256
Aztreonam,3TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3879.0Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4542.5Standard non polar33892256
Aztreonam,3TBDMS,isomer #1C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5257.2Standard polar33892256
Aztreonam,3TBDMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3773.8Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4516.0Standard non polar33892256
Aztreonam,3TBDMS,isomer #2C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5315.1Standard polar33892256
Aztreonam,3TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3761.4Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4507.0Standard non polar33892256
Aztreonam,3TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O5126.8Standard polar33892256
Aztreonam,3TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O3804.0Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O4550.6Standard non polar33892256
Aztreonam,3TBDMS,isomer #4C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O5227.7Standard polar33892256
Aztreonam,3TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3816.2Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4534.7Standard non polar33892256
Aztreonam,3TBDMS,isomer #5C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5203.1Standard polar33892256
Aztreonam,3TBDMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3846.2Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4577.9Standard non polar33892256
Aztreonam,3TBDMS,isomer #6C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C5317.1Standard polar33892256
Aztreonam,3TBDMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3769.9Semi standard non polar33892256
Aztreonam,3TBDMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4546.8Standard non polar33892256
Aztreonam,3TBDMS,isomer #7C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O5191.6Standard polar33892256
Aztreonam,4TBDMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3998.8Semi standard non polar33892256
Aztreonam,4TBDMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4882.9Standard non polar33892256
Aztreonam,4TBDMS,isomer #1C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4857.1Standard polar33892256
Aztreonam,4TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4038.3Semi standard non polar33892256
Aztreonam,4TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4932.6Standard non polar33892256
Aztreonam,4TBDMS,isomer #2C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4945.1Standard polar33892256
Aztreonam,4TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O3950.9Semi standard non polar33892256
Aztreonam,4TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4861.3Standard non polar33892256
Aztreonam,4TBDMS,isomer #3C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O4793.7Standard polar33892256
Aztreonam,4TBDMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C3992.3Semi standard non polar33892256
Aztreonam,4TBDMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4926.3Standard non polar33892256
Aztreonam,4TBDMS,isomer #4C[C@H]1[C@H](N(C(=O)/C(=N\OC(C)(C)C(=O)O)C2=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)[Si](C)(C)C(C)(C)C)C(=O)N1S(=O)(=O)O[Si](C)(C)C(C)(C)C4909.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aztreonam GC-MS (Non-derivatized) - 70eV, Positivesplash10-007c-9425200000-e19e767dba01d637f0c92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aztreonam GC-MS (1 TMS) - 70eV, Positivesplash10-00du-9502400000-63d4b17051748b65ae9a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aztreonam GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aztreonam GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 10V, Positive-QTOFsplash10-002u-7519400000-58625f5f40c4248abff62017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 20V, Positive-QTOFsplash10-02dj-6719200000-9dc50bd4db5ecbf705452017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 40V, Positive-QTOFsplash10-006w-9510000000-60df6cd78d995652b92f2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 10V, Negative-QTOFsplash10-001i-9335700000-1188040f3c9d08230a282017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 20V, Negative-QTOFsplash10-0729-1494000000-a113d31838979a9528a82017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 40V, Negative-QTOFsplash10-0596-9500000000-25bbcb89ddb9d4f2c2532017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 10V, Negative-QTOFsplash10-014j-0089300000-c423c98e621c10d081c12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 20V, Negative-QTOFsplash10-014i-1291000000-e8f1ffa9b35fbcb83d2f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 40V, Negative-QTOFsplash10-0a5a-9021000000-662dffd2c0d1f562e90f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 10V, Positive-QTOFsplash10-000i-0011900000-67e270a3df18f93366c62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 20V, Positive-QTOFsplash10-0079-2495700000-d9de682a2264183a8deb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aztreonam 40V, Positive-QTOFsplash10-052o-9351000000-843a4197fce8d1c5613d2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00355 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00355 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00355
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4674940
KEGG Compound IDC06840
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAztreonam
METLIN IDNot Available
PubChem Compound5742832
PDB IDNot Available
ChEBI ID161680
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