Rhodochelin (CHEBI:204946)

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CHEBI:204946 - Rhodochelin

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ChEBI ID	CHEBI:204946
ChEBI Name	Rhodochelin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H33N5O12
Net Charge	0
Average Mass	571.540
Monoisotopic Mass	571.21257
SMILES	CC(OC(=O)[C@@H](N)CCCN(O)C=O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O
InChI	InChI=1S/C23H33N5O12/c1-13(40-23(37)15(24)6-3-9-27(38)11-29)18(26-20(33)14-5-2-8-17(31)19(14)32)21(34)25-16(22(35)36)7-4-10-28(39)12-30/h2,5,8,11-13,15-16,18,31-32,38-39H,3-4,6-7,9-10,24H2,1H3,(H,25,34)(H,26,33)(H,35,36)/t13?,15-,16-,18-/m0/s1
InChIKey	JFONHXNWLVUYOJ-XGSMPJOYSA-N

Species of Metabolite	Component	Source	Comments
Rhodococcus jostii RHA1 (ncbitaxon:101510)	-	PubMed (21381663)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Rhodochelin (CHEBI:204946) is a depsipeptide (CHEBI:23643)

IUPAC Name
(2S)-2-[[(2S)-3-[(2S)-2-amino-5-[ormyl(hydroxy)amino]pentanoyl]oxy-2-[(2,3-dihydroxybenzoyl)amino]butanoyl]amino]-5-[ormyl(hydroxy)amino]pentanoic acid

Manual Xrefs	Databases
28288673	ChemSpider