EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45191 - 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:45191
ChEBI Name2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H14NO7P
Net Charge0
Average Mass315.218
Monoisotopic Mass315.05079
SMILES[H]OC(=O)[C@@]1([H])[C@]([H])(C(=O)N([H])C([H])([H])[H])[C@]1([H])c1c([H])c([H])c(OP(=O)(O[H])O[H])c([H])c1[H]
InChIInChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
InChIKeyGIIUHKRUTUSHAB-IVZWLZJFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID (CHEBI:45191) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acidPDBeChem
2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
PTCPDBeChem