11-Hydroxy-aclacinomycin A (CHEBI:220279)

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CHEBI:220279 - 11-Hydroxy-aclacinomycin A

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ChEBI ID	CHEBI:220279
ChEBI Name	11-Hydroxy-aclacinomycin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C42H53NO16
Net Charge	0
Average Mass	827.877
Monoisotopic Mass	827.33643
SMILES	CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChI	InChI=1S/C42H53NO16/c1-8-42(52)16-25(30-31(34(42)41(51)53-7)38(50)32-33(37(30)49)36(48)29-20(35(32)47)10-9-11-23(29)45)57-27-14-21(43(5)6)39(18(3)55-27)59-28-15-24(46)40(19(4)56-28)58-26-13-12-22(44)17(2)54-26/h9-11,17-19,21,24-28,34,39-40,45-46,49-50,52H,8,12-16H2,1-7H3/t17?,18?,19?,21?,24?,25-,26?,27?,28?,34?,39?,40?,42+/m0/s1
InChIKey	DGBFPZUOWZFVHF-INLIFTMVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces galilaeus (ncbitaxon:33899)	-	PubMed (8641998)

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)
	11-Hydroxy-aclacinomycin A (CHEBI:220279) is a anthracycline (CHEBI:48120)

IUPAC Name
methyl (2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Manual Xrefs	Databases
78445621	ChemSpider