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CHEBI:214183 - Splenocin H

ChEBI IDCHEBI:214183
ChEBI NameSplenocin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38N2O9
Net Charge0
Average Mass582.650
Monoisotopic Mass582.25773
SMILESCCCCC(C)C[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C31H38N2O9/c1-5-6-11-18(2)16-23-27(42-29(37)21-12-8-7-9-13-21)20(4)41-31(39)25(19(3)40-30(23)38)33-28(36)22-14-10-15-24(26(22)35)32-17-34/h7-10,12-15,17-20,23,25,27,35H,5-6,11,16H2,1-4H3,(H,32,34)(H,33,36)/t18?,19-,20+,23-,25+,27+/m1/s1
InChIKeyBFQCYIGAEVFXRO-RTNNLQPISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - 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 H (CHEBI:214183) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-8-(2-methylhexyl)-4,9-dioxo-1,5-dioxonan-7-yl] benzoate
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