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CHEBI:755236 - 13-deoxydoxorubicin

Default Structure
ChEBI IDCHEBI:755236
ChEBI Name13-deoxydoxorubicin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H31NO10
Net Charge0
Average Mass529.542
Monoisotopic Mass529.19480
SMILES[H][C@]1(O[C@H]2C[C@](O)(CCO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1
InChIKeyRGVRUQHYQSORBY-JIGXQNLBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
13-deoxydoxorubicin (CHEBI:755236) has role antineoplastic agent (CHEBI:35610)
13-deoxydoxorubicin (CHEBI:755236) is a anthracycline (CHEBI:48120)
Synonyms  Source
13-deoxydoxorubicinChEMBL
GPX-100ChEMBL
Citations