EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41989 - {(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid

ChEBI IDCHEBI:41989
ChEBI Name{(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid
Stars
ASCII Name{(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid
Last Modified7 January 2015
DownloadsMolfile
FormulaC15H21NO6
Net Charge0
Average Mass311.334
Monoisotopic Mass311.13689
SMILES[H]OC(=O)C([H])([H])[C@]1([H])[C@@]([H])(C(=O)O[H])N([H])C([H])([H])[C@]1([H])/C(=C([H])\C([H])=C(/[H])[C@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
InChIKeyVZFRNCSOCOPNDB-AOKDLOFSSA-N
ChEBI Ontology
Outgoing Relation(s)
{(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid (CHEBI:41989) is a L-proline derivative (CHEBI:84186)
{(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid (CHEBI:41989) is a pyrrolidinemonocarboxylic acid (CHEBI:46701)
{(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dienyl]pyrrolidin-3-yl}acetic acid (CHEBI:41989) is a tricarboxylic acid (CHEBI:27093)
Synonyms  Source
(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACIDPDBeChem
(3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dien-1-yl]-L-prolinePDBeChem
Manual XrefsDatabases
DOQPDBeChem