EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46098 - (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID

Default Structure
ChEBI IDCHEBI:46098
ChEBI Name(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID
Stars
DownloadsMolfile
FormulaC14H19NO5S
Net Charge0
Average Mass313.375
Monoisotopic Mass313.09839
SMILES[H]OC(=O)[C@]([H])(C([H])([H])N([H])S(=O)(=O)c1c([H])c([H])c(C([H])([H])[H])c([H])c1[H])[C@@]([H])(C([H])=O)C([H])([H])C([H])([H])[H]
InChIInChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyIDDWUPNJUMHKFQ-DGCLKSJQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID (CHEBI:46098) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acidPDBeChem
(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDPDBeChem
Manual XrefsDatabases
TPXPDBeChem