CHEBI:1831 - 4-Glutathionyl cyclophosphamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-Glutathionyl cyclophosphamide
ChEBI ID CHEBI:1831
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H30Cl2N5O8PS
Net Charge 0
Average Mass 566.395
Monoisotopic Mass 565.09298
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)
InChIKey CXEDBYAXQXFDHD-UHFFFAOYSA-N
SMILES NC(CCC(=O)NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(=O)NCC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-Glutathionyl cyclophosphamide (CHEBI:1831) is a peptide (CHEBI:16670)
Synonym Source
4-Glutathionyl cyclophosphamide KEGG COMPOUND
Manual Xrefs Databases
C11583 KEGG COMPOUND
HMDB0060387 HMDB
View more database links
Last Modified
28 July 2014