U-77,803 (CHEBI:224757)

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CHEBI:224757 - U-77,803

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ChEBI ID	CHEBI:224757
ChEBI Name	U-77,803
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H46N2O17S2
Net Charge	0
Average Mass	806.862
Monoisotopic Mass	806.22379
SMILES	CO[C@H]1C[C@@H](O[C@@H]2[C@@H](O)[C@H]([C@]3(O)CC(=O)C(=N)C(C(=O)O)=C3O)O[C@H](COC(C)=O)[C@H]2OC(=O)C2NC(=S)SC2C)O[C@@H](C)[C@]1(O)[C@H](C)OC(=O)C(C)C
InChI	InChI=1S/C33H46N2O17S2/c1-11(2)29(42)49-14(5)33(45)13(4)48-19(8-18(33)46-7)51-25-23(38)27(32(44)9-16(37)21(34)20(26(32)39)28(40)41)50-17(10-47-15(6)36)24(25)52-30(43)22-12(3)54-31(53)35-22/h11-14,17-19,22-25,27,34,38-39,44-45H,8-10H2,1-7H3,(H,35,53)(H,40,41)/t12?,13-,14-,17+,18-,19+,22?,23+,24+,25+,27+,32-,33-/m0/s1
InChIKey	BCZLWJHLCJBVMM-TXUMZDCISA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3192491)

ChEBI Ontology

Outgoing Relation(s)
	U-77,803 (CHEBI:224757) has functional parent tetracarboxylic acid (CHEBI:35742)
	U-77,803 (CHEBI:224757) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(3R)-3-[(2R,3R,4R,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-5-(5-methyl-2-sulanylidene-1,3-thiazolidine-4-carbonyl)oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid

Manual Xrefs	Databases
78443245	ChemSpider