Splenocin G (CHEBI:200139)

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CHEBI:200139 - Splenocin G

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ChEBI ID	CHEBI:200139
ChEBI Name	Splenocin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H36N2O9
Net Charge	0
Average Mass	568.623
Monoisotopic Mass	568.24208
SMILES	CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1
InChI	InChI=1S/C30H36N2O9/c1-4-5-6-10-14-22-26(41-28(36)20-12-8-7-9-13-20)19(3)40-30(38)24(18(2)39-29(22)37)32-27(35)21-15-11-16-23(25(21)34)31-17-33/h7-9,11-13,15-19,22,24,26,34H,4-6,10,14H2,1-3H3,(H,31,33)(H,32,35)/t18-,19+,22-,24+,26+/m1/s1
InChIKey	TVMGYIUFRACTJD-HJNZNPFWSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	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 G (CHEBI:200139) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name
[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] benzoate

Manual Xrefs	Databases
24702892	ChemSpider