Anaenamide B (CHEBI:217150)

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CHEBI:217150 - Anaenamide B

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ChEBI ID	CHEBI:217150
ChEBI Name	Anaenamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H38ClNO8
Net Charge	0
Average Mass	540.053
Monoisotopic Mass	539.22859
SMILES	CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(/Cl)C(=O)OC)[C@@H](C)CC
InChI	InChI=1S/C27H38ClNO8/c1-7-9-10-12-19-13-11-14-21(34-5)22(19)26(32)37-23(17(3)8-2)27(33)36-18(4)24(30)29-16-15-20(28)25(31)35-6/h11,13-15,17-18,23H,7-10,12,16H2,1-6H3,(H,29,30)/b20-15+/t17-,18-,23+/m0/s1
InChIKey	IXCTXXVLJZQBQP-WNFKXCOPSA-N

Species of Metabolite	Component	Source	Comments
Hormoscilla (ncbitaxon:881023)	-	PubMed (32418432)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Anaenamide B (CHEBI:217150) is a depsipeptide (CHEBI:23643)

IUPAC Name
[(2R,3S)-1-[(2S)-1-[[(E)-3-chloro-4-methoxy-4-oxobut-2-enyl]amino]-1-oxopropan-2-yl]oxy-3-methyl-1-oxopentan-2-yl] 2-methoxy-6-pentylbenzoate

Manual Xrefs	Databases
84285762	ChemSpider