A-500359 C (CHEBI:221407)

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CHEBI:221407 - A-500359 C

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ChEBI ID	CHEBI:221407
ChEBI Name	A-500359 C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31N5O12
Net Charge	0
Average Mass	569.524
Monoisotopic Mass	569.19692
SMILES	C[C@@H]1CCC[C@H](NC(=O)C2=C[C@H](O)[C@H](O)[C@@H](O[C@@H](C(N)=O)[C@H]3O[C@@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3O)O2)C(=O)N1
InChI	InChI=1S/C23H31N5O12/c1-8-3-2-4-9(19(35)25-8)26-20(36)11-7-10(29)13(31)22(38-11)40-17(18(24)34)16-14(32)15(33)21(39-16)28-6-5-12(30)27-23(28)37/h5-10,13-17,21-22,29,31-33H,2-4H2,1H3,(H2,24,34)(H,25,35)(H,26,36)(H,27,30,37)/t8-,9+,10+,13+,14+,15-,16+,17-,21-,22-/m1/s1
InChIKey	BFXPEJKKPCBJOT-PQXOLBNDSA-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 C (CHEBI:221407) 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,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Manual Xrefs	Databases
8432898	ChemSpider