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CHEBI:198617 - Splenocin C

ChEBI IDCHEBI:198617
ChEBI NameSplenocin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N2O9
Net Charge0
Average Mass554.596
Monoisotopic Mass554.22643
SMILESCCC(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/C29H34N2O9/c1-5-16(2)27(35)40-25-18(4)39-29(37)23(31-26(34)20-12-9-13-22(24(20)33)30-15-32)17(3)38-28(36)21(25)14-19-10-7-6-8-11-19/h6-13,15-18,21,23,25,33H,5,14H2,1-4H3,(H,30,32)(H,31,34)/t16?,17-,18+,21-,23+,25+/m1/s1
InChIKeyXSELIRFLKHOAHM-FJMXMQQUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - 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 C (CHEBI:198617) 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-methylbutanoate
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24721409ChemSpider