Vestaine A1 (CHEBI:225838)

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CHEBI:225838 - Vestaine A1

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ChEBI ID	CHEBI:225838
ChEBI Name	Vestaine A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H47N2O4S
Net Charge	+1
Average Mass	459.717
Monoisotopic Mass	459.32511
SMILES	CC(=O)N[C@@H](CSCC(C(=O)CCCCCCCCCCC(C)C)[N+](C)(C)C)C(=O)O
InChI	InChI=1S/C24H46N2O4S/c1-19(2)15-13-11-9-7-8-10-12-14-16-23(28)22(26(4,5)6)18-31-17-21(24(29)30)25-20(3)27/h19,21-22H,7-18H2,1-6H3,(H-,25,27,29,30)/p+1/t21-,22?/m0/s1
InChIKey	ALZXMLCSQCORED-HMTLIYDFSA-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 A1 (CHEBI:225838) is a N-acyl-amino acid (CHEBI:51569)

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

Manual Xrefs	Databases
78443800	ChemSpider