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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 00:58:46 UTC
Update Date2021-09-14 15:41:35 UTC
HMDB IDHMDB0060387
Secondary Accession Numbers
  • HMDB60387
Metabolite Identification
Common Name4-Glutathionyl cyclophosphamide
Description4-Glutathionyl cyclophosphamide is a metabolite of cyclophosphamide. Cyclophosphamide ( trade names Endoxan, Cytoxan, Neosar, Procytox, Revimmune), also known as cytophosphane, is a nitrogen mustard alkylating agent, from the oxazophorines group. An alkylating agent adds an alkyl group (CnH2n+1) to DNA. It attaches the alkyl group to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. It is used to treat various types of cancer and some autoimmune disorders. (Wikipedia)
Structure
Data?1563866053
SynonymsNot Available
Chemical FormulaC17H30Cl2N5O8PS
Average Molecular Weight566.394
Monoisotopic Molecular Weight565.092975577
IUPAC Name2-amino-4-{[2-({2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ⁵-oxazaphosphinan-4-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
Traditional NameC17H30cl2N5O8PS
CAS Registry NumberNot Available
SMILES
NC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)
InChI KeyCXEDBYAXQXFDHD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Nitrogen mustard
  • Phosphoric monoester diamide
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Oxazaphosphinane
  • Fatty acyl
  • Organic phosphoric acid amide
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Organoheterocyclic compound
  • Carboxylic acid
  • Oxacycle
  • Azacycle
  • Organonitrogen compound
  • Alkyl halide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Alkyl chloride
  • Primary amine
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organosulfur compound
  • Organohalogen compound
  • Organic nitrogen compound
  • Organochloride
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.18 g/LALOGPS
logP10(-1.7) g/LALOGPS
logP10(-2.8) g/LChemAxon
logS10(-3.5) g/LALOGPS
pKa (Strongest Acidic)1.9ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area207.37 ŲChemAxon
Rotatable Bond Count16ChemAxon
Refractivity125.88 m³·mol⁻¹ChemAxon
Polarizability52.99 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-Glutathionyl cyclophosphamideNC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O4827.1Standard polar33892256
4-Glutathionyl cyclophosphamideNC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O3576.2Standard non polar33892256
4-Glutathionyl cyclophosphamideNC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O4519.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-Glutathionyl cyclophosphamide,1TMS,isomer #1C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O4406.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TMS,isomer #2C[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4410.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TMS,isomer #3C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4398.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O4364.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TMS,isomer #5C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O4482.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TMS,isomer #6C[Si](C)(C)N1C(SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O)CCOP1(=O)N(CCCl)CCCl4397.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C4280.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #10C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O[Si](C)(C)C4268.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #11C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O4374.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #12C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(N)C(=O)O4299.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #13C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C4357.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #14C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O4271.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #15C[Si](C)(C)N(C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C4519.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #16C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)C(=O)O4379.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #2C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C4310.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #3C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(N)C(=O)O)O[Si](C)(C)C4294.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #4C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O4392.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #5C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O4312.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #6C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4261.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #7C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C4270.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #8C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O4397.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TMS,isomer #9C[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(N)C(=O)O4313.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C4202.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #10C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O4420.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #11C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O4309.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #12C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O[Si](C)(C)C4151.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #13C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4256.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #14C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(N)C(=O)O4207.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #15C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4269.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #16C[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C4226.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #17C[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4405.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #18C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O4311.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #19C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4260.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #2C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4182.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #20C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C4200.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #21C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4412.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #22C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O4284.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #23C[Si](C)(C)OC(=O)C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C4392.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #24C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C4276.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #25C[Si](C)(C)N(C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C4445.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #3C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4281.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C4216.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #5C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(N)C(=O)O)O[Si](C)(C)C4188.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #6C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4304.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #7C[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C4263.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #8C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4288.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,3TMS,isomer #9C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C4216.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #1C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4116.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #10C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C4336.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #11C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4257.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #12C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4338.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #13C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4225.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #14C[Si](C)(C)OC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O4384.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #15C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4160.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #16C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(N)C(=O)O[Si](C)(C)C4112.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #17C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4300.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #18C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4220.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #19C[Si](C)(C)OC(=O)C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4303.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #2C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4216.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #20C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4221.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #21C[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4378.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #22C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4306.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #23C[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4211.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #24C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4366.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #25C[Si](C)(C)OC(=O)C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C4360.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C4165.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #4C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4207.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #5C[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4128.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #6C[Si](C)(C)OC(=O)C(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4325.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #7C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)C(O)=NCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4223.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #8C[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O4202.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,4TMS,isomer #9C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C)N=C(CCC(N)C(=O)O)O[Si](C)(C)C4155.2Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O4553.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4563.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4616.3Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O4567.6Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O4684.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O)CCOP1(=O)N(CCCl)CCCl4607.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C4639.0Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C4673.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O4765.1Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O4698.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C4727.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O4669.8Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)N(C(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C4858.5Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)C(=O)O4753.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4648.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C4655.9Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC(=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(O)=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O4729.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CCC(N)C(=O)O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O4675.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C(C)(C)C)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1)N=C(O)CCC(N)C(=O)O4642.7Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C4635.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC(O)=NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O4728.4Semi standard non polar33892256
4-Glutathionyl cyclophosphamide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=NCC(=O)O)C(CSC1CCOP(=O)(N(CCCl)CCCl)N1[Si](C)(C)C(C)(C)C)N=C(O)CCC(N)C(=O)O4686.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9440780000-72a130ffdc0663407ea52017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (1 TMS) - 70eV, Positivesplash10-06y6-5051192000-85c6673bb5eb4869b5f42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS ("4-Glutathionyl cyclophosphamide,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Glutathionyl cyclophosphamide GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 10V, Positive-QTOFsplash10-0fk9-3139020000-046b94793b5ffdc91fef2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 20V, Positive-QTOFsplash10-006x-9724100000-8aaf34c2e69014649e082015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 40V, Positive-QTOFsplash10-00di-9130000000-3b7c56c19d5091ab9e502015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 10V, Negative-QTOFsplash10-0zgj-0212590000-d3604655628d2a5897dc2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 20V, Negative-QTOFsplash10-000i-9016000000-bf78140826d14fe805c32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 40V, Negative-QTOFsplash10-0006-9841000000-f940fa82fb8f8898fd892015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 10V, Positive-QTOFsplash10-00kr-0001960000-dca074efa713b2affcfa2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 20V, Positive-QTOFsplash10-03ki-1036920000-4965fe95e9631cf5a4dd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 40V, Positive-QTOFsplash10-00kr-9005200000-ddb699d034625c7b8bf22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 10V, Negative-QTOFsplash10-03dj-1000190000-8abecb432b7850e834a82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 20V, Negative-QTOFsplash10-024i-4922220000-411f179e15245039ed8a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Glutathionyl cyclophosphamide 40V, Negative-QTOFsplash10-0006-9820100000-30f2da94e763624e1fab2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC11583
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound443288
PDB IDNot Available
ChEBI ID1831
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. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Only showing the first 10 proteins. There are 19 proteins in total.

Enzymes

General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular weight:
25744.395
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM1
Uniprot ID:
P09488
Molecular weight:
25711.555
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in protein disulfide oxidoreductase activity
Specific function:
Significant glutathione conjugating activity is found only with the model substrate, 1-chloro-2,4-dinitrobenzene (CDNB).
Gene Name:
GSTK1
Uniprot ID:
Q9Y2Q3
Molecular weight:
31565.605
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Also functions as a glutathione peroxidase.
Gene Name:
MGST3
Uniprot ID:
O14880
Molecular weight:
16516.185
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.
Gene Name:
GSTM3
Uniprot ID:
P21266
Molecular weight:
26559.32
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA1
Uniprot ID:
P08263
Molecular weight:
25630.785
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a wide substrate specificity.
Gene Name:
MGST1
Uniprot ID:
P10620
Molecular weight:
17598.45
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Active on 1-chloro-2,4-dinitrobenzene.
Gene Name:
GSTM4
Uniprot ID:
Q03013
Molecular weight:
25561.095
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM5
Uniprot ID:
P46439
Molecular weight:
25674.455
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails
General function:
Involved in enzyme activator activity
Specific function:
Can catalyze the production of LTC4 from LTA4 and reduced glutathione. Can catalyze the conjugation of 1-chloro-2,4-dinitrobenzene with reduced glutathione.
Gene Name:
MGST2
Uniprot ID:
Q99735
Molecular weight:
16620.4
Reactions
Aldophosphamide + Glutathione → 4-Glutathionyl cyclophosphamide + Waterdetails

Only showing the first 10 proteins. There are 19 proteins in total.