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CHEBI:214930 - Jomthonic acid A

ChEBI IDCHEBI:214930
ChEBI NameJomthonic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO5
Net Charge0
Average Mass387.476
Monoisotopic Mass387.20457
SMILESC/C=C(C)/C=C/C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C)C(=O)O)[C@H](C)c1ccccc1
InChIInChI=1S/C22H29NO5/c1-6-14(2)12-13-19(24)23-20(16(4)18-10-8-7-9-11-18)22(27)28-17(5)15(3)21(25)26/h6-13,15-17,20H,1-5H3,(H,23,24)(H,25,26)/b13-12+,14-6+/t15-,16-,17-,20+/m1/s1
InChIKeyVVPVXDHEFAYPAR-ZZSCLJTRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (22583058)
Streptomyces (ncbitaxon:1883) - PubMed (30065171)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Jomthonic acid A (CHEBI:214930) is a depsipeptide (CHEBI:23643)
IUPAC Names 
(2R,3R)-2-methyl-3-[(2S,3R)-2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxybutanoic acid
2-methyl-3-[2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxybutanoic acid
Manual XrefsDatabases
28511338ChemSpider
71048483ChemSpider