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CHEBI:189400 - Tumonoic acid H

ChEBI IDCHEBI:189400
ChEBI NameTumonoic acid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45NO7
Net Charge0
Average Mass483.646
Monoisotopic Mass483.31960
SMILESCCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@H](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C26H45NO7/c1-7-8-9-10-11-12-14-19(6)23(28)27-16-13-15-20(27)25(31)34-22(18(4)5)26(32)33-21(17(2)3)24(29)30/h17-22H,7-16H2,1-6H3,(H,29,30)/t19-,20-,21-,22+/m0/s1
InChIKeyXZDDLHQSVWZOPD-MYGLTJDJSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tumonoic acid H (CHEBI:189400) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2S)-3-methyl-2-[(2R)-3-methyl-2-[(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carbonyl]oxybutanoyl]oxybutanoic acid
Manual XrefsDatabases
24706270ChemSpider