(2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid (CHEBI:222913)

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CHEBI:222913 - (2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid

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ChEBI ID	CHEBI:222913
ChEBI Name	(2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H23NO6S
Net Charge	0
Average Mass	357.428
Monoisotopic Mass	357.12461
SMILES	C/C=C/C=C/C(=O)SCC[C@H](NC(=O)C(O)C(O)/C=C/C)C(=O)O
InChI	InChI=1S/C16H23NO6S/c1-3-5-6-8-13(19)24-10-9-11(16(22)23)17-15(21)14(20)12(18)7-4-2/h3-8,11-12,14,18,20H,9-10H2,1-2H3,(H,17,21)(H,22,23)/b5-3+,7-4+,8-6+/t11-,12?,14?/m0/s1
InChIKey	CJAMMVRPZOYETG-FMQXYMPASA-N

Species of Metabolite	Component	Source	Comments
Punctularia strigosozonata (ncbitaxon:202698)	-	PubMed (29651464)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid (CHEBI:222913) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid