CHEBI:199543 - Splenocin J

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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 J
ChEBI ID CHEBI:199543
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H26N2O8
Net Charge 0
Average Mass 470.478
Monoisotopic Mass 470.16892
InChI InChI=1S/C24H26N2O8/c1-13-19(26-22(30)16-9-6-10-18(21(16)29)25-12-27)24(32)34-14(2)20(28)17(23(31)33-13)11-15-7-4-3-5-8-15/h3-10,12-14,17,19-20,28-29H,11H2,1-2H3,(H,25,27)(H,26,30)/t13-,14+,17-,19+,20+/m1/s1
InChIKey JWALONHVQNKYEL-FQUQYDMUSA-N
SMILES O=C1O[C@H]([C@H](O)[C@@H](CC2=CC=CC=C2)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 )
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ChEBI Ontology
Outgoing Splenocin J (CHEBI:199543) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
N-[(2R,3S,6S,7R,8R)-8-benzyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-ormamido-2-hydroxybenzamide
Manual Xref Database
24705279 ChemSpider
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