Terpeptin B (CHEBI:211710)

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CHEBI:211710 - Terpeptin B

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ChEBI ID	CHEBI:211710
ChEBI Name	Terpeptin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H40N4O4
Net Charge	0
Average Mass	496.652
Monoisotopic Mass	496.30496
SMILES	CC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N/C=C\[C@]1(CC=C(C)C)C(=O)Nc2ccccc21)C(C)C)C(C)C
InChI	InChI=1S/C28H40N4O4/c1-17(2)13-14-28(21-11-9-10-12-22(21)31-27(28)36)15-16-29-25(34)24(19(5)6)32(8)26(35)23(18(3)4)30-20(7)33/h9-13,15-16,18-19,23-24H,14H2,1-8H3,(H,29,34)(H,30,33)(H,31,36)/b16-15-/t23-,24-,28-/m0/s1
InChIKey	RVCGZLLNFZYJTG-AUDVIQTNSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (18846581)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Terpeptin B (CHEBI:211710) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-acetamido-N,3-dimethyl-N-[(2S)-3-methyl-1-[[(Z)-2-[(3S)-3-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]ethenyl]amino]-1-oxobutan-2-yl]butanamide

Manual Xrefs	Databases
27023431	ChemSpider