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CHEBI:1831 - 4-Glutathionyl cyclophosphamide

ChEBI IDCHEBI:1831
ChEBI Name4-Glutathionyl cyclophosphamide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H30Cl2N5O8PS
Net Charge0
Average Mass566.401
Monoisotopic Mass565.09298
SMILESNC(CCC(=O)NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyCXEDBYAXQXFDHD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-Glutathionyl cyclophosphamide (CHEBI:1831) is a peptide (CHEBI:16670)
Synonym  Source
4-Glutathionyl cyclophosphamideKEGG COMPOUND
Manual XrefsDatabases
C11583KEGG COMPOUND
HMDB0060387HMDB