CHEBI:166594 - Pyrromycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pyrromycin
ChEBI ID CHEBI:166594
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H35NO11
Net Charge 0
Average Mass 585.606
Monoisotopic Mass 585.22101
InChI InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12-,15-,18-,19-,24-,25+,30+/m0/s1
InChIKey ZJBMQVPEJHVSQA-OCYVVMCSSA-N
SMILES O([C@H]1C[C@@](O)([C@@H](C=2C1=C(O)C3=C(C2)C(=O)C=4C(C3=O)=C(O)C=CC4O)C(OC)=O)CC)[C@@H]5O[C@H]([C@@H](O)[C@@H](N(C)C)C5)C
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 Pyrromycin (CHEBI:166594) is a anthracycline (CHEBI:48120)
IUPAC Name
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual Xref Database
170609 ChemSpider
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Registry Number Type Source
668-17-7 CAS Registry Number ChemIDplus