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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:51 UTC
HMDB IDHMDB0015083
Secondary Accession Numbers
  • HMDB15083
Metabolite Identification
Common NameMezlocillin
DescriptionMezlocillin is only found in individuals that have used or taken this drug. It is a semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections. [PubChem]By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, mezlocillin 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 mezlocillin interferes with an autolysin inhibitor.
Structure
Data?1582753256
Synonyms
ValueSource
(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidChEBI
6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidChEBI
MezlinChEBI
MezlocilinaChEBI
MezlocillineChEBI
MezlocillinumChEBI
(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateGenerator
(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulphonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateGenerator
(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulphonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidGenerator
6b-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6b-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidGenerator
6b-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6b-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidGenerator
6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6beta-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6beta-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidGenerator
6Β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6Β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidGenerator
6Β-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateGenerator
6Β-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acidGenerator
Bayf 1353HMDB
Curasan brand OF mezlocillin sodium (sterile)HMDB
BaypenHMDB
MelocinHMDB
Sodium, mezlocillinHMDB
Mezlocillin sodiumHMDB
Bay F 1353HMDB
Bay-F 1353HMDB
Bayer brand OF mezlocillin sodium (sterile)HMDB
MeslocillinHMDB
Chemical FormulaC21H25N5O8S2
Average Molecular Weight539.582
Monoisotopic Molecular Weight539.114454181
IUPAC Name(2S,5R,6R)-6-[(2R)-2-[(3-methanesulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Traditional Namemezlocillin
CAS Registry Number51481-65-3
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O
InChI Identifier
InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
InChI KeyYPBATNHYBCGSSN-VWPFQQQWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • Penicillin
  • N-acyl-alpha amino acid or derivatives
  • N-carbamoyl-alpha-amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Phenylacetamide
  • Penam
  • Sulfonylurea
  • Monocyclic benzene moiety
  • Imidazolidinone
  • Benzenoid
  • Beta-lactam
  • Imidazolidine
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Sulfonyl
  • Tertiary carboxylic acid amide
  • Thiazolidine
  • Urea
  • Azetidine
  • Secondary carboxylic acid amide
  • Carbonic acid derivative
  • Lactam
  • Carboxamide group
  • Hemithioaminal
  • Dialkylthioether
  • Thioether
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organonitrogen compound
  • Organopnictogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.47 g/LNot Available
LogP0Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.47 g/LALOGPS
logP0.21ALOGPS
logP-0.84ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.49ChemAxon
pKa (Strongest Basic)-5.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area173.5 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity124.88 m³·mol⁻¹ChemAxon
Polarizability51.5 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
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]+215.93231661259
DarkChem[M-H]-204.17531661259
DeepCCS[M-2H]-241.15730932474
DeepCCS[M+Na]+215.34630932474
AllCCS[M+H]+213.432859911
AllCCS[M+H-H2O]+212.032859911
AllCCS[M+NH4]+214.732859911
AllCCS[M+Na]+215.032859911
AllCCS[M-H]-207.232859911
AllCCS[M+Na-2H]-208.432859911
AllCCS[M+HCOO]-209.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Mezlocillin[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O6263.3Standard polar33892256
Mezlocillin[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O3445.8Standard non polar33892256
Mezlocillin[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O4679.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Mezlocillin,1TMS,isomer #1CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C3815.8Semi standard non polar33892256
Mezlocillin,1TMS,isomer #2CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O3867.0Semi standard non polar33892256
Mezlocillin,1TMS,isomer #3CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O3787.5Semi standard non polar33892256
Mezlocillin,2TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C3798.6Semi standard non polar33892256
Mezlocillin,2TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C4368.1Standard non polar33892256
Mezlocillin,2TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C5758.1Standard polar33892256
Mezlocillin,2TMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C3727.1Semi standard non polar33892256
Mezlocillin,2TMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C4323.5Standard non polar33892256
Mezlocillin,2TMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C5877.2Standard polar33892256
Mezlocillin,2TMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O3759.2Semi standard non polar33892256
Mezlocillin,2TMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O4371.5Standard non polar33892256
Mezlocillin,2TMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O5844.4Standard polar33892256
Mezlocillin,3TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C3727.9Semi standard non polar33892256
Mezlocillin,3TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C4491.7Standard non polar33892256
Mezlocillin,3TMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C5364.6Standard polar33892256
Mezlocillin,1TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4052.0Semi standard non polar33892256
Mezlocillin,1TBDMS,isomer #2CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O4073.2Semi standard non polar33892256
Mezlocillin,1TBDMS,isomer #3CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O4003.3Semi standard non polar33892256
Mezlocillin,2TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4195.8Semi standard non polar33892256
Mezlocillin,2TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4964.7Standard non polar33892256
Mezlocillin,2TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C5732.9Standard polar33892256
Mezlocillin,2TBDMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4119.5Semi standard non polar33892256
Mezlocillin,2TBDMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4911.4Standard non polar33892256
Mezlocillin,2TBDMS,isomer #2CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C5827.1Standard polar33892256
Mezlocillin,2TBDMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O4146.8Semi standard non polar33892256
Mezlocillin,2TBDMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O4952.8Standard non polar33892256
Mezlocillin,2TBDMS,isomer #3CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O5797.9Standard polar33892256
Mezlocillin,3TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C4262.1Semi standard non polar33892256
Mezlocillin,3TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C5323.2Standard non polar33892256
Mezlocillin,3TBDMS,isomer #1CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C5403.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-1090000000-30ba63db4797e4d4836d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (1 TMS) - 70eV, Positivesplash10-0002-1090000000-8356c0b1a87fcce856cf2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mezlocillin GC-MS ("Mezlocillin,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 - Mezlocillin 10V, Positive-QTOFsplash10-014i-0910010000-9de4bf02d7dd1cc9d3772016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 20V, Positive-QTOFsplash10-00kr-7910000000-e06a9bd362ce4723bce22016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 40V, Positive-QTOFsplash10-014r-6900000000-f20f6eeb80ce786a597d2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 10V, Negative-QTOFsplash10-0002-0109200000-4b61d69c53d74fe2e0a62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 20V, Negative-QTOFsplash10-00kb-3908300000-41e54898cd272dbc82ec2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 40V, Negative-QTOFsplash10-004i-9311000000-fd81fa067ad63b9dc4d02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 10V, Positive-QTOFsplash10-0006-0432090000-edbf59d4f68de248dc622021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 20V, Positive-QTOFsplash10-00lr-3925010000-5a77477e443c073ce3f22021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 40V, Positive-QTOFsplash10-01q9-0913100000-38849f0b13c1ff924b582021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 10V, Negative-QTOFsplash10-03di-1902030000-431dbf04e41622d870c42021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 20V, Negative-QTOFsplash10-001i-9500000000-6bd2926f658df74e070e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mezlocillin 40V, Negative-QTOFsplash10-00fu-7910000000-2183d83c42f1b7c12ac42021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00948 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00948 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00948
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID570894
KEGG Compound IDC07221
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMezlocillin
METLIN IDNot Available
PubChem Compound656511
PDB IDNot Available
ChEBI ID6919
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 References
  1. McCormick PA, Greenslade L, Kibbler CC, Chin JK, Burroughs AK, McIntyre N: A prospective randomized trial of ceftazidime versus netilmicin plus mezlocillin in the empirical therapy of presumed sepsis in cirrhotic patients. Hepatology. 1997 Apr;25(4):833-6. [PubMed:9096584 ]
  2. Rohde B, Werner U, Hickstein H, Ehmcke H, Drewelow B: Pharmacokinetics of mezlocillin and sulbactam under continuous veno-venous hemodialysis (CVVHD) in intensive care patients with acute renal failure. Eur J Clin Pharmacol. 1997;53(2):111-5. [PubMed:9403281 ]
  3. Kristof RA, Clusmann H, Koehler W, Fink KB, Schramm J: Treatment of accidental high dose intraventricular mezlocillin application by cerebrospinal fluid exchange. J Neurol Neurosurg Psychiatry. 1998 Mar;64(3):379-81. [PubMed:9527154 ]