CHEBI:198474 - Splenocin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Splenocin F
ChEBI ID CHEBI:198474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34N2O9
Net Charge 0
Average Mass 554.596
Monoisotopic Mass 554.22643
InChI InChI=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
InChIKey FTJJUOYUUFABMY-WCWKAPRESA-N
SMILES O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CCCCC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Metabolite of Species Details
Streptomycesspecies CNQ431 (NCBI:txid1571532) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
24702883 ChemSpider
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