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CHEBI:215592 - Splenocin I

ChEBI IDCHEBI:215592
ChEBI NameSplenocin I
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SubmitterMetaboLights
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FormulaC31H30N2O9
Net Charge0
Average Mass574.586
Monoisotopic Mass574.19513
SMILESC[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C31H30N2O9/c1-18-25(33-28(36)22-14-9-15-24(26(22)35)32-17-34)31(39)41-19(2)27(42-29(37)21-12-7-4-8-13-21)23(30(38)40-18)16-20-10-5-3-6-11-20/h3-15,17-19,23,25,27,35H,16H2,1-2H3,(H,32,34)(H,33,36)/t18-,19+,23-,25+,27+/m1/s1
InChIKeyCDFGTWCLDDDNOL-YMWAZFFASA-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 I (CHEBI:215592) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-8-benzyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] benzoate
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