EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228156 - (2S)-4-methyl-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanoate

ChEBI IDCHEBI:228156
ChEBI Name(2S)-4-methyl-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanoate
Stars
ASCII Name(2S)-4-methyl-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanoate
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H20NO7
Net Charge-1
Average Mass290.292
Monoisotopic Mass290.12453
SMILESCC(C)C[C@H](/N=C/[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]
InChIInChI=1S/C12H21NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(14)4-20-12/h5-10,14-16,19H,3-4H2,1-2H3,(H,17,18)/p-1/b13-5+/t7-,8+,9+,10-,12+/m0/s1
InChIKeyRSQUDZRAUMQIEA-LLPRFKBNSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-methyl-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanoate (CHEBI:228156) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
(2S)-4-methyl-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanoateUniProt