Tumonic acid B (CHEBI:227289)

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CHEBI:227289 - Tumonic acid B

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ChEBI ID	CHEBI:227289
ChEBI Name	Tumonic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H47NO8
Net Charge	0
Average Mass	525.683
Monoisotopic Mass	525.33017
SMILES	CCCCCCC/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@@H](C)CC
InChI	InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)/b19-15+/t18-,20+,21-,22-,23?,24+/m0/s1
InChIKey	HYPDCGGBAFGHKA-WRZMLGOZSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (10096859)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tumonic acid B (CHEBI:227289) is a depsipeptide (CHEBI:23643)

IUPAC Name
(2S)-2-[(2R,3S)-2-[(2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxypropanoic acid

Manual Xrefs	Databases
10477626	ChemSpider