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CHEBI:222907 - (2S)-2-[[(E)-2,5-dihydroxyhex-3-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid

ChEBI IDCHEBI:222907
ChEBI Name(2S)-2-[[(E)-2,5-dihydroxyhex-3-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO6S
Net Charge0
Average Mass357.428
Monoisotopic Mass357.12461
SMILESC/C=C/C=C/C(=O)SCC[C@H](NC(=O)C(O)/C=C/C(C)O)C(=O)O
InChIInChI=1S/C16H23NO6S/c1-3-4-5-6-14(20)24-10-9-12(16(22)23)17-15(21)13(19)8-7-11(2)18/h3-8,11-13,18-19H,9-10H2,1-2H3,(H,17,21)(H,22,23)/b4-3+,6-5+,8-7+/t11?,12-,13?/m0/s1
InChIKeyKSQNOKNLCAGGOM-IJAIYLEKSA-N
Species of MetaboliteComponentSourceComments
Punctularia strigosozonata (ncbitaxon:202698) - PubMed (29651464)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[(E)-2,5-dihydroxyhex-3-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid (CHEBI:222907) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2S)-2-[[(E)-2,5-dihydroxyhex-3-enoyl]amino]-4-[(2E,4E)-hexa-2,4-dienoyl]sulanylbutanoic acid