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CHEBI:45431 - (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE

Default Structure
ChEBI IDCHEBI:45431
ChEBI Name(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H19NO9S
Net Charge0
Average Mass365.360
Monoisotopic Mass365.07805
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]([S@](=O)O[H])(C([H])([H])[H])[C@]([H])(C(=O)O[H])N([H])/C([H])=C(\[H])C([H])=O
InChIInChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
InChIKeyZLJAMSCQNNEARN-QDZHIHTESA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE (CHEBI:45431) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valinePDBeChem
(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINEPDBeChem
Manual XrefsDatabases
SA2PDBeChem