Resormycin (CHEBI:199392)

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CHEBI:199392 - Resormycin

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ChEBI ID	CHEBI:199392
ChEBI Name	Resormycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H31ClN4O7
Net Charge	0
Average Mass	486.953
Monoisotopic Mass	486.18813
SMILES	CC(C)(O)[C@H](NC(=O)C[C@@H](N)CCCCN)C(=O)N/C(=C\c1cc(O)c(Cl)c(O)c1)C(=O)O
InChI	InChI=1S/C21H31ClN4O7/c1-21(2,33)18(26-16(29)10-12(24)5-3-4-6-23)19(30)25-13(20(31)32)7-11-8-14(27)17(22)15(28)9-11/h7-9,12,18,27-28,33H,3-6,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32)/b13-7-/t12-,18+/m0/s1
InChIKey	LGIARSLOMQCKGX-SMOPJJOVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (9510908)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Resormycin (CHEBI:199392) is a peptide (CHEBI:16670)

IUPAC Name
(Z)-3-(4-chloro-3,5-dihydroxyphenyl)-2-[[(2S)-2-[[(3S)-3,7-diaminoheptanoyl]amino]-3-hydroxy-3-methylbutanoyl]amino]prop-2-enoic acid

Manual Xrefs	Databases
8776376	ChemSpider