Benzoxacystol (CHEBI:198994)

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CHEBI:198994 - Benzoxacystol

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ChEBI ID	CHEBI:198994
ChEBI Name	Benzoxacystol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H16N2O7S
Net Charge	0
Average Mass	380.378
Monoisotopic Mass	380.06782
SMILES	C=C1Oc2cc(OC)cc(C(=O)SC[C@H](NC(C)=O)C(=O)O)c2NC1=O
InChI	InChI=1S/C16H16N2O7S/c1-7-14(20)18-13-10(4-9(24-3)5-12(13)25-7)16(23)26-6-11(15(21)22)17-8(2)19/h4-5,11H,1,6H2,2-3H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m0/s1
InChIKey	YGSOEFLROPFWTN-NSHDSACASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (21505471)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Benzoxacystol (CHEBI:198994) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2R)-2-acetamido-3-(7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carbonyl)sulanylpropanoic acid

Manual Xrefs	Databases
27025656	ChemSpider