A-500359 A (CHEBI:221401)

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CHEBI:221401 - A-500359 A

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ChEBI ID	CHEBI:221401
ChEBI Name	A-500359 A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C24H33N5O12
Net Charge	0
Average Mass	583.551
Monoisotopic Mass	583.21257
SMILES	CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)nc2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCC[C@@H](C)NC2=O)=C[C@H](O)[C@@H]1O)C(N)=O
InChI	InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1
InChIKey	RVEJXOKUHHMFKS-BPJITGRLSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (12760680)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	A-500359 A (CHEBI:221401) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Manual Xrefs	Databases
4592826	ChemSpider