4-Glutathionyl cyclophosphamide (Q27105512)

4-Glutathionyl cyclophosphamide (English)

5 October 2016

chemical formula

C₁₇H₃₀Cl₂N₅O₈PS

1 reference

4-Glutathionyl cyclophosphamide (English)

5 October 2016

canonical SMILES

C1COP(=O)(NC1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N(CCCl)CCCl

1 reference

4-Glutathionyl cyclophosphamide (English)

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)

5 October 2016

Identifiers

InChI

1 reference

4-Glutathionyl cyclophosphamide (English)

5 October 2016

2 references

4-Glutathionyl cyclophosphamide (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

gamma-Glutamyl-S-{2-[bis(2-chloroethyl)amino]-2-oxido-1,3,2-oxazaphosphinan-4-yl}cysteinylglycine (English)

5 October 2016

2 references

4-Glutathionyl cyclophosphamide (English)

5 October 2016

ChEBI ID

1831

mapping relation type

2 references

4-Glutathionyl cyclophosphamide (English)

5 October 2016

International Chemical Identifier

InChI

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)

1 reference

CHEMBL2074795 (English)

5 October 2016

1 reference

1 reference

Human Metabolome Database ID

HMDB0060387

2 references

based on heuristic

inferred from InChIKey

1 reference

4-Glutathionyl cyclophosphamide (English)