CHEBI:206967 - Splenocin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 D
ChEBI ID CHEBI:206967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28N2O9
Net Charge 0
Average Mass 512.515
Monoisotopic Mass 512.17948
InChI InChI=1S/C26H28N2O9/c1-4-17-22(37-24(32)16-9-6-5-7-10-16)15(3)36-26(34)20(14(2)35-25(17)33)28-23(31)18-11-8-12-19(21(18)30)27-13-29/h5-15,17,20,22,30H,4H2,1-3H3,(H,27,29)(H,28,31)/t14-,15+,17-,20+,22+/m1/s1
InChIKey ABGLHEFIWWSNJQ-IRSNHEQCSA-N
SMILES O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) 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 D (CHEBI:206967) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
[(2R,3S,6S,7R,8R)-8-ethyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] benzoate
Manual Xref Database
24717497 ChemSpider
View more database links