Oganomycin A (CHEBI:223389)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223389 - Oganomycin A

Take structure to advanced search

ChEBI ID	CHEBI:223389
ChEBI Name	Oganomycin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H27N3O13S2
Net Charge	0
Average Mass	629.622
Monoisotopic Mass	629.09853
SMILES	CO[C@@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(COC(=O)/C=C/c3ccc(OS(=O)(=O)O)cc3)CS[C@H]21
InChI	InChI=1S/C24H27N3O13S2/c1-38-24(26-17(28)4-2-3-16(25)20(30)31)22(34)27-19(21(32)33)14(12-41-23(24)27)11-39-18(29)10-7-13-5-8-15(9-6-13)40-42(35,36)37/h5-10,16,23H,2-4,11-12,25H2,1H3,(H,26,28)(H,30,31)(H,32,33)(H,35,36,37)/b10-7+/t16-,23+,24+/m1/s1
InChIKey	WZUOYYCVBUQXEE-QDQQHJAUSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (7319912)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Oganomycin A (CHEBI:223389) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(6S,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-3-[[(E)-3-(4-sulooxyphenyl)prop-2-enoyl]oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Manual Xrefs	Databases
78443085	ChemSpider