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 Name (2S)-2-[[(E)-2,3-dihydroxyhex-4-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid
ChEBI ID CHEBI:222913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H23NO6S
Net Charge 0
Average Mass 357.420
Monoisotopic Mass 357.12461
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
SMILES S(C(=O)/C=C/C=C/C)CC[C@H](NC(=O)C(O)C(O)/C=C/C)C(=O)O
Metabolite of Species Details
Punctularia strigosozonata (NCBI:txid202698) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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