Valinoctin B (CHEBI:189195)

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CHEBI:189195 - Valinoctin B

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ChEBI ID	CHEBI:189195
ChEBI Name	Valinoctin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H28N2O4
Net Charge	0
Average Mass	288.388
Monoisotopic Mass	288.20491
SMILES	CCC(C)CC[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)O)C(C)C
InChI	InChI=1S/C14H28N2O4/c1-5-9(4)6-7-10(15)12(17)13(18)16-11(8(2)3)14(19)20/h8-12,17H,5-7,15H2,1-4H3,(H,16,18)(H,19,20)/t9?,10-,11+,12+/m1/s1
InChIKey	VLUDHYVPNMGNDL-WSWARRKISA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	leaf (BTO:0000713)	MetaboLights (MTBLS3997)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Valinoctin B (CHEBI:189195) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-6-methyloctanoyl]amino]-3-methylbutanoic acid

Manual Xrefs	Databases
9953550	ChemSpider