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CHEBI:198474 - Splenocin F

ChEBI IDCHEBI:198474
ChEBI NameSplenocin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N2O9
Net Charge0
Average Mass554.596
Monoisotopic Mass554.22643
SMILESCCCCC[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/C29H34N2O9/c1-4-5-7-13-21-25(40-27(35)19-11-8-6-9-12-19)18(3)39-29(37)23(17(2)38-28(21)36)31-26(34)20-14-10-15-22(24(20)33)30-16-32/h6,8-12,14-18,21,23,25,33H,4-5,7,13H2,1-3H3,(H,30,32)(H,31,34)/t17-,18+,21-,23+,25+/m1/s1
InChIKeyFTJJUOYUUFABMY-WCWKAPRESA-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 F (CHEBI:198474) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] benzoate
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