MA-144-KH (CHEBI:201234)

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CHEBI:201234 - MA-144-KH

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ChEBI ID	CHEBI:201234
ChEBI Name	MA-144-KH
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H31NO10
Net Charge	0
Average Mass	541.553
Monoisotopic Mass	541.19480
SMILES	CC[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
InChI	InChI=1S/C28H31NO10/c1-4-28(36)10-17(39-18-9-15(29)23(31)11(2)38-18)20-13(22(28)27(35)37-3)8-14-21(26(20)34)25(33)19-12(24(14)32)6-5-7-16(19)30/h5-8,11,15,17-18,22-23,30-31,34,36H,4,9-10,29H2,1-3H3/t11?,15?,17-,18?,22-,23?,28+/m0/s1
InChIKey	MCWLCHNOMBKWNJ-CUNXHAHNSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces coeruleorubidus (ncbitaxon:116188)	-	PubMed (7451367)

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)
	MA-144-KH (CHEBI:201234) is a anthracycline (CHEBI:48120)

IUPAC Name
methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Manual Xrefs	Databases
78445082	ChemSpider