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CHEBI:210574 - Splenocin B

ChEBI IDCHEBI:210574
ChEBI NameSplenocin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32N2O9
Net Charge0
Average Mass540.569
Monoisotopic Mass540.21078
SMILESCC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C28H32N2O9/c1-15(2)26(34)39-24-17(4)38-28(36)22(30-25(33)19-11-8-12-21(23(19)32)29-14-31)16(3)37-27(35)20(24)13-18-9-6-5-7-10-18/h5-12,14-17,20,22,24,32H,13H2,1-4H3,(H,29,31)(H,30,33)/t16-,17+,20-,22+,24+/m1/s1
InChIKeyPOEKVQXERPXKAO-NIBHENIISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ431 (ncbitaxon:1571532) - 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 B (CHEBI:210574) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-8-benzyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
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24703904ChemSpider