Bactobolin D (CHEBI:225257)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225257 - Bactobolin D

Take structure to advanced search

ChEBI ID	CHEBI:225257
ChEBI Name	Bactobolin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H25Cl2N3O6
Net Charge	0
Average Mass	438.308
Monoisotopic Mass	437.11204
SMILES	C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl
InChI	InChI=1S/C17H25Cl2N3O6/c1-6(20)13(25)21-7(2)14(26)22-12-9-4-8(23)5-10(24)11(9)15(27)28-17(12,3)16(18)19/h6-9,12,16,23-24H,4-5,20H2,1-3H3,(H,21,25)(H,22,26)/t6-,7-,8-,9+,12+,17-/m0/s1
InChIKey	KHGMZWVYYCQZEC-AVMQSFCVSA-N

Species of Metabolite	Component	Source	Comments
Burkholderia (ncbitaxon:32008)	-	PubMed (20095633)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Bactobolin D (CHEBI:225257) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-N-[(2S)-1-[[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]-2-aminopropanamide

Manual Xrefs	Databases
78437773	ChemSpider