CHEBI:32011 - Pirarubicin

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ChEBI Name Pirarubicin
ChEBI ID CHEBI:32011
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C32H37NO12
C32H37NO12
Net Charge 0
Average Mass 627.637
Monoisotopic Mass 627.23158
InChI InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21-,22-,31+,32-/m0/s1
InChIKey KMSKQZKKOZQFFG-HSUXVGOQSA-N
SMILES [C@H]1(OCCCC1)O[C@H]2[C@H](C[C@H](O[C@@H]3C=4C(=C5C(C6=C(C=CC=C6C(C5=C(C4C[C@](C3)(C(CO)=O)O)O)=O)OC)=O)O)O[C@H]2C)N
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
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ChEBI Ontology
Outgoing Pirarubicin (CHEBI:32011) is a anthracycline (CHEBI:48120)
Synonym Source
Pirarubicin KEGG COMPOUND
Manual Xref Database
D01885 KEGG DRUG
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Registry Number Type Source
72496-41-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017