11-Hydroxy-aclacinomycin X (CHEBI:204554)

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CHEBI:204554 - 11-Hydroxy-aclacinomycin X

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ChEBI ID	CHEBI:204554
ChEBI Name	11-Hydroxy-aclacinomycin X
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C42H52N2O16
Net Charge	0
Average Mass	840.876
Monoisotopic Mass	840.33168
SMILES	CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChI	InChI=1S/C42H52N2O16/c1-8-42(53)15-25(29-30(33(42)40(52)54-7)37(51)31-32(36(29)50)35(49)28-19(34(31)48)10-9-11-22(28)45)58-26-13-21(44(5)6)38(17(3)55-26)59-27-14-24(47)39(18(4)56-27)60-41-20(43)12-23(46)16(2)57-41/h9-12,16-18,21,24-27,33,38-39,41,45,47,50-51,53H,8,13-15,43H2,1-7H3/t16?,17?,18?,21?,24?,25-,26?,27?,33?,38?,39?,41?,42+/m0/s1
InChIKey	LPFZXQBRNYTAKP-WFSPYIGVSA-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 X (CHEBI:204554) is a anthracycline (CHEBI:48120)

IUPAC Name
methyl (2R,4S)-4-[5-[5-[(3-amino-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-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
78445588	ChemSpider