ladirubicin (CHEBI:750529)

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CHEBI:750529 - ladirubicin

ChEBI ID	CHEBI:750529
ChEBI Name	ladirubicin
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C29H31NO11S
Net Charge	0
Average Mass	601.630
Monoisotopic Mass	601.16178
SMILES	CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N4CC4)[C@H](OS(C)(=O)=O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
InChI	InChI=1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3/t13-,18-,19-,20-,28+,29-/m0/s1
InChIKey	VMDWTZZCNDEKIO-CBNJBKGYSA-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)
	ladirubicin (CHEBI:750529) is a anthracycline (CHEBI:48120)

INNs	Source
ladirubicin	WHO MedNet
ladirubicina	WHO MedNet
ladirubicine	WHO MedNet