CHEBI:198752 - D-788-15

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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 D-788-15
ChEBI ID CHEBI:198752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H29NO11
Net Charge 0
Average Mass 543.525
Monoisotopic Mass 543.17406
InChI InChI=1S/C27H29NO11/c1-9-21(30)11(28)7-14(38-9)39-13-8-27(2,36)20(26(35)37-3)17-16(13)24(33)19-18(25(17)34)22(31)10-5-4-6-12(29)15(10)23(19)32/h4-6,9,11,13-14,20-21,29-30,33-34,36H,7-8,28H2,1-3H3/t9?,11?,13-,14?,20-,21?,27+/m0/s1
InChIKey CPJDZTLLDPHJGM-ZDDZLPDHSA-N
SMILES O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(C)C[C@@H]3OC4OC(C(O)C(C4)N)C)C(=C2C(=O)C=5C1=C(O)C=CC5)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing D-788-15 (CHEBI:198752) is a anthracycline (CHEBI:48120)
IUPAC Name
methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual Xref Database
78443727 ChemSpider
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