leurubicin (CHEBI:756176)

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CHEBI:756176 - leurubicin

ChEBI ID	CHEBI:756176
ChEBI Name	leurubicin
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C33H40N2O12
Net Charge	0
Average Mass	656.685
Monoisotopic Mass	656.25812
SMILES	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)[C@H](O)[C@H](C)O1
InChI	InChI=1S/C33H40N2O12/c1-13(2)8-17(34)32(43)35-18-9-22(46-14(3)27(18)38)47-20-11-33(44,21(37)12-36)10-16-24(20)31(42)26-25(29(16)40)28(39)15-6-5-7-19(45-4)23(15)30(26)41/h5-7,13-14,17-18,20,22,27,36,38,40,42,44H,8-12,34H2,1-4H3,(H,35,43)/t14-,17-,18-,20-,22-,27+,33-/m0/s1
InChIKey	HROXIDVVXKDCBD-ZUWKMVCBSA-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)
	leurubicin (CHEBI:756176) is a anthracycline (CHEBI:48120)

INNs	Source
leurubicin	WHO MedNet
leurubicina	WHO MedNet
leurubicine	WHO MedNet

Citations