Catenulobactin B (CHEBI:210455)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210455 - Catenulobactin B

Take structure to advanced search

ChEBI ID	CHEBI:210455
ChEBI Name	Catenulobactin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30N4O9
Net Charge	0
Average Mass	554.556
Monoisotopic Mass	554.20128
SMILES	C[C@H]1OC(c2ccccc2O)=N[C@@H]1C(=O)N[C@H](CCCN(O)C(=O)[C@H]1N=C(c2ccccc2O)O[C@@H]1C)C(=O)O
InChI	InChI=1S/C27H30N4O9/c1-14-21(29-24(39-14)16-8-3-5-11-19(16)32)23(34)28-18(27(36)37)10-7-13-31(38)26(35)22-15(2)40-25(30-22)17-9-4-6-12-20(17)33/h3-6,8-9,11-12,14-15,18,21-22,32-33,38H,7,10,13H2,1-2H3,(H,28,34)(H,36,37)/t14-,15-,18-,21+,22+/m1/s1
InChIKey	LDZQYJVRAADCDV-BUKMRGBOSA-N

Species of Metabolite	Component	Source	Comments
Catenuloplanes (ncbitaxon:33874)	-	PubMed (30130105)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Catenulobactin B (CHEBI:210455) is a peptide (CHEBI:16670)

IUPAC Name
(2R)-5-[hydroxy-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-2-[[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Manual Xrefs	Databases
78439143	ChemSpider