Lorneic acid I (CHEBI:208334)

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CHEBI:208334 - Lorneic acid I

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ChEBI ID	CHEBI:208334
ChEBI Name	Lorneic acid I
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Submitter	MetaboLights
Downloads	Molfile

Formula	C22H31NO5S2
Net Charge	0
Average Mass	453.626
Monoisotopic Mass	453.16437
SMILES	CCCC(SSCC(NC(C)=O)C(=O)O)c1cc(C)ccc1/C=C/CCCC(=O)O
InChI	InChI=1S/C22H31NO5S2/c1-4-8-20(30-29-14-19(22(27)28)23-16(3)24)18-13-15(2)11-12-17(18)9-6-5-7-10-21(25)26/h6,9,11-13,19-20H,4-5,7-8,10,14H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)/b9-6+
InChIKey	IZPIIKDCVJWAGQ-RMKNXTFCSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (28990780)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Lorneic acid I (CHEBI:208334) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(E)-6-[2-[1-[(2-acetamido-2-carboxyethyl)disulanyl]butyl]-4-methylphenyl]hex-5-enoic acid

Manual Xrefs	Databases
78435781	ChemSpider