Vestaine B1 (CHEBI:225844)

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CHEBI:225844 - Vestaine B1

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ChEBI ID	CHEBI:225844
ChEBI Name	Vestaine B1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H49N2O4S
Net Charge	+1
Average Mass	473.744
Monoisotopic Mass	473.34076
SMILES	CCC(C)CCCCCCCCCCC(=O)C(CSC[C@H](NC(C)=O)C(=O)O)[N+](C)(C)C
InChI	InChI=1S/C25H48N2O4S/c1-7-20(2)16-14-12-10-8-9-11-13-15-17-24(29)23(27(4,5)6)19-32-18-22(25(30)31)26-21(3)28/h20,22-23H,7-19H2,1-6H3,(H-,26,28,30,31)/p+1/t20?,22-,23?/m0/s1
InChIKey	GXQHTUZOMWRVTK-APKLWFBNSA-O

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (27531222)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Vestaine B1 (CHEBI:225844) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[1-[(2R)-2-acetamido-2-carboxyethyl]sulanyl-14-methyl-3-oxohexadecan-2-yl]-trimethylazanium

Manual Xrefs	Databases
78443801	ChemSpider