CHEBI:198994 - Benzoxacystol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benzoxacystol
ChEBI ID CHEBI:198994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16N2O7S
Net Charge 0
Average Mass 380.370
Monoisotopic Mass 380.06782
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
SMILES S(C(=O)C1=C2NC(=O)C(=C)OC2=CC(=C1)OC)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
27025656 ChemSpider
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