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CHEBI:207051 - Splenocin E

ChEBI IDCHEBI:207051
ChEBI NameSplenocin E
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SubmitterMetaboLights
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FormulaC28H32N2O9
Net Charge0
Average Mass540.569
Monoisotopic Mass540.21078
SMILESCCCC[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
InChIInChI=1S/C28H32N2O9/c1-4-5-12-20-24(39-26(34)18-10-7-6-8-11-18)17(3)38-28(36)22(16(2)37-27(20)35)30-25(33)19-13-9-14-21(23(19)32)29-15-31/h6-11,13-17,20,22,24,32H,4-5,12H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,20-,22+,24+/m1/s1
InChIKeyGDMFHVAWBYMLCR-NIBHENIISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19323483)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Splenocin E (CHEBI:207051) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] benzoate
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