Amipurimycin (CHEBI:223870)

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CHEBI:223870 - Amipurimycin

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ChEBI ID	CHEBI:223870
ChEBI Name	Amipurimycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H29N7O8
Net Charge	0
Average Mass	495.493
Monoisotopic Mass	495.20776
SMILES	Nc1ncc2ncn([C@@H]3O[C@@H]([C@@H](NC(=O)[C@@H]4CCC[C@@H]4N)C(=O)O)C[C@@](O)([C@@H](O)CO)[C@@H]3O)c2n1
InChI	InChI=1S/C20H29N7O8/c21-9-3-1-2-8(9)16(31)25-13(18(32)33)11-4-20(34,12(29)6-28)14(30)17(35-11)27-7-24-10-5-23-19(22)26-15(10)27/h5,7-9,11-14,17,28-30,34H,1-4,6,21H2,(H,25,31)(H,32,33)(H2,22,23,26)/t8-,9+,11-,12+,13-,14-,17-,20-/m1/s1
InChIKey	BHAUQSKSOITMND-KVKUBTPSSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (557031)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Amipurimycin (CHEBI:223870) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R)-2-[[(1R,2S)-2-aminocyclopentanecarbonyl]amino]-2-[(2R,4R,5S,6R)-6-(2-aminopurin-9-yl)-4-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]acetic acid

Manual Xrefs	Databases
78443143	ChemSpider