Tumonoic acid I (CHEBI:210382)

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CHEBI:210382 - Tumonoic acid I

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ChEBI ID	CHEBI:210382
ChEBI Name	Tumonoic acid I
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Submitter	MetaboLights
Downloads	Molfile

Formula	C27H47NO7
Net Charge	0
Average Mass	497.673
Monoisotopic Mass	497.33525
SMILES	CCCCC(C)CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChI	InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17?,18-,19-,20?,21-,22-,23+/m0/s1
InChIKey	LWUJNFXMOSWRGO-PIKKEMSPSA-N

Species of Metabolite	Component	Source	Comments
Blennothrix (ncbitaxon:483695)	-	PubMed (18698821)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Tumonoic acid I (CHEBI:210382) is a depsipeptide (CHEBI:23643)

IUPAC Name
(2S,3S)-2-[(2R,3S)-2-[(2S)-1-(2,4-dimethyloctanoyl)pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoic acid

Manual Xrefs	Databases
78440243	ChemSpider