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CHEBI:203833 - Splenocin A

ChEBI IDCHEBI:203833
ChEBI NameSplenocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N2O9
Net Charge0
Average Mass512.515
Monoisotopic Mass512.17948
SMILESCC(=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/C26H28N2O9/c1-14-21(28-24(32)18-10-7-11-20(22(18)31)27-13-29)26(34)36-15(2)23(37-16(3)30)19(25(33)35-14)12-17-8-5-4-6-9-17/h4-11,13-15,19,21,23,31H,12H2,1-3H3,(H,27,29)(H,28,32)/t14-,15+,19-,21+,23+/m1/s1
InChIKeyWPZOHBISGSNJLH-IMYFGAKASA-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 A (CHEBI:203833) 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] acetate
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