Splenocin J (CHEBI:199543)

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CHEBI:199543 - Splenocin J

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ChEBI ID	CHEBI:199543
ChEBI Name	Splenocin J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H26N2O8
Net Charge	0
Average Mass	470.478
Monoisotopic Mass	470.16892
SMILES	C[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)[C@H]1O
InChI	InChI=1S/C24H26N2O8/c1-13-19(26-22(30)16-9-6-10-18(21(16)29)25-12-27)24(32)34-14(2)20(28)17(23(31)33-13)11-15-7-4-3-5-8-15/h3-10,12-14,17,19-20,28-29H,11H2,1-2H3,(H,25,27)(H,26,30)/t13-,14+,17-,19+,20+/m1/s1
InChIKey	JWALONHVQNKYEL-FQUQYDMUSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies CNQ431 (ncbitaxon:1571532)	-	PubMed (19323483)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Splenocin J (CHEBI:199543) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name
N-[(2R,3S,6S,7R,8R)-8-benzyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-ormamido-2-hydroxybenzamide

Manual Xrefs	Databases
24705279	ChemSpider