EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:756136 - rodorubicin

Default Structure
ChEBI IDCHEBI:756136
ChEBI Namerodorubicin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC48H64N2O17
Net Charge0
Average Mass941.037
Monoisotopic Mass940.42050
SMILES[H][C@@]12O[C@@H](C)C(=O)C[C@]1([H])O[C@@]1([H])C[C@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4C[C@](O)(CC)[C@H](O[C@H]5C[C@H](N(C)C)[C@H](O)[C@H](C)O5)c5c(O)c6c(c(O)c54)C(=O)c4c(O)cccc4C6=O)C[C@@H]3N(C)C)O[C@@H](C)[C@@]1([H])O2
InChIInChI=1S/C48H64N2O17/c1-10-48(58)18-30(64-31-15-25(50(8)9)44(21(4)60-31)65-33-17-28-45(22(5)61-33)67-47-29(63-28)16-27(52)19(2)62-47)35-38(46(48)66-32-14-24(49(6)7)39(53)20(3)59-32)43(57)36-37(42(35)56)41(55)34-23(40(36)54)12-11-13-26(34)51/h11-13,19-22,24-25,28-33,39,44-47,51,53,56-58H,10,14-18H2,1-9H3/t19-,20-,21-,22-,24-,25-,28-,29-,30-,31-,32-,33-,39+,44+,45+,46+,47-,48+/m0/s1
InChIKeyJXVAMODRWBNUSF-KZQKBALLSA-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.
ChEBI Ontology
Outgoing Relation(s)
rodorubicin (CHEBI:756136) is a anthracycline (CHEBI:48120)
INNs  Source
rodorubicinWHO MedNet
rodorubicinaWHO MedNet
rodorubicineWHO MedNet
Synonym  Source
Cytorhodin sChEMBL