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CHEBI:749256 - daunorubicin citrate

Default Structure
ChEBI IDCHEBI:749256
ChEBI Namedaunorubicin citrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H29NO10.C6H8O7
Net Charge0
Average Mass719.649
Monoisotopic Mass719.20615
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H][C@]1(O[C@H]2C[C@](O)(C(C)=O)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/C27H29NO10.C6H8O7/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,14-,16-,17-,22+,27-;/m0./s1
InChIKeyVNTHYLVDGVBPOU-QQYBVWGSSA-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)
daunorubicin citrate (CHEBI:749256) has role antineoplastic agent (CHEBI:35610)
daunorubicin citrate (CHEBI:749256) is a anthracycline (CHEBI:48120)
Synonyms  Source
Daunorubicin citrate liposomeChEMBL
Daunorubicin liposomalChEMBL