A-500359 G (CHEBI:221421)

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CHEBI:221421 - A-500359 G

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ChEBI ID	CHEBI:221421
ChEBI Name	A-500359 G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H29N5O12
Net Charge	0
Average Mass	555.497
Monoisotopic Mass	555.18127
SMILES	NC(=O)[C@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)[C@H]1O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C22H29N5O12/c23-17(33)16(15-13(31)14(32)20(38-15)27-6-4-11(29)26-22(27)36)39-21-12(30)9(28)7-10(37-21)19(35)25-8-3-1-2-5-24-18(8)34/h4,6-9,12-16,20-21,28,30-32H,1-3,5H2,(H2,23,33)(H,24,34)(H,25,35)(H,26,29,36)/t8-,9-,12-,13-,14+,15-,16+,20+,21+/m0/s1
InChIKey	ROPNVEBUXSKZCY-OXHOPNEESA-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 G (CHEBI:221421) 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)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Manual Xrefs	Databases
8523108	ChemSpider