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CHEBI:189321 - Tumonic acid C

ChEBI IDCHEBI:189321
ChEBI NameTumonic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45NO8
Net Charge0
Average Mass511.656
Monoisotopic Mass511.31452
SMILESCCCCCCC/C=C(\C)C(O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22?,23-/m1/s1
InChIKeyJMMSUMNUHPWPOM-OTXNQVFESA-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)
Tumonic acid C (CHEBI:189321) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2S)-2-[(2R)-2-[(2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyl]oxy-3-methylbutanoyl]oxypropanoic acid
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