cacibiocin B (CHEBI:156552)

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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	cacibiocin B

ChEBI ID	CHEBI:156552

Definition	A derivative of cacibiocin A where the hydrogen atoms in positions 6 and 8 of the coumarin moiety are substituted with chlorine atoms.

Stars	This entity has been manually annotated by a third party.

Submitter	Martin Larralde

Supplier Information

Download	Molfile XML SDF

Formula

C15H8Cl2N2O7

Net Charge

Average Mass

399.140

Monoisotopic Mass

397.97086

InChI

InChI=1S/C15H8Cl2N2O7/c16-5-3-4-10(20)9(15(25)26-12(4)8(17)11(5)21)19-13(22)6-1-2-7(18-6)14(23)24/h1-3,18,20-21H,(H,19,22)(H,23,24)

InChIKey

XKCFYLTVOFQSHE-UHFFFAOYSA-N

SMILES

C=1(C(=C(C=C2C1OC(C(=C2O)NC(=O)C3=CC=C(N3)C(O)=O)=O)Cl)O)Cl

Metabolite of Species	Details
Catenulispora acidiphila DSM 44928 (NCBI:txid479433)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology
Outgoing	cacibiocin B (CHEBI:156552) has functional parent cacibiocin A (CHEBI:156551) cacibiocin B (CHEBI:156552) has part δ-lactone ring (CHEBI:52940) cacibiocin B (CHEBI:156552) has role bacterial metabolite (CHEBI:76969) cacibiocin B (CHEBI:156552) is a δ-lactone (CHEBI:18946) cacibiocin B (CHEBI:156552) is a aminocoumarin (CHEBI:85128) cacibiocin B (CHEBI:156552) is a diol (CHEBI:23824) cacibiocin B (CHEBI:156552) is a organochlorine compound (CHEBI:36683) cacibiocin B (CHEBI:156552) is a pyrrolecarboxylic acid (CHEBI:26454) cacibiocin B (CHEBI:156552) is a secondary amide (CHEBI:33257)