Cyclo(L-Val-D-Ile-L-Leu-L-Pro-D-Leu) (CHEBI:212583)

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CHEBI:212583 - Cyclo(L-Val-D-Ile-L-Leu-L-Pro-D-Leu)

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ChEBI ID	CHEBI:212583
ChEBI Name	Cyclo(L-Val-D-Ile-L-Leu-L-Pro-D-Leu)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H49N5O5
Net Charge	0
Average Mass	535.730
Monoisotopic Mass	535.37337
SMILES	CCC(C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O
InChI	InChI=1S/C28H49N5O5/c1-9-18(8)23-27(37)30-20(14-16(4)5)28(38)33-12-10-11-21(33)25(35)29-19(13-15(2)3)24(34)31-22(17(6)7)26(36)32-23/h15-23H,9-14H2,1-8H3,(H,29,35)(H,30,37)(H,31,34)(H,32,36)/t18?,19-,20+,21+,22+,23-/m1/s1
InChIKey	XPNFTYQQDGDCDD-CYMAKUROSA-N

Species of Metabolite	Component	Source	Comments
Xylariaspecies (ncbitaxon:1715255)	-	PubMed (21428374)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cyclo(L-Val-D-Ile-L-Leu-L-Pro-D-Leu) (CHEBI:212583) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6R,9S,12R,15S)-6-butan-2-yl-3,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
78438008	ChemSpider