CHEBI:200139 - Splenocin G

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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 G
ChEBI ID CHEBI:200139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H36N2O9
Net Charge 0
Average Mass 568.623
Monoisotopic Mass 568.24208
InChI InChI=1S/C30H36N2O9/c1-4-5-6-10-14-22-26(41-28(36)20-12-8-7-9-13-20)19(3)40-30(38)24(18(2)39-29(22)37)32-27(35)21-15-11-16-23(25(21)34)31-17-33/h7-9,11-13,15-19,22,24,26,34H,4-6,10,14H2,1-3H3,(H,31,33)(H,32,35)/t18-,19+,22-,24+,26+/m1/s1
InChIKey TVMGYIUFRACTJD-HJNZNPFWSA-N
SMILES O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 G (CHEBI:200139) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] benzoate
Manual Xref Database
24702892 ChemSpider
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