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CHEBI:138943 - carnosate

ChEBI IDCHEBI:138943
ChEBI Namecarnosate
Stars
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of carnosic acid. The major species at pH 7.3.
Last Modified21 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H27O4
Net Charge-1
Average Mass331.432
Monoisotopic Mass331.19148
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@@]1(C(=O)[O-])CCCC2(C)C
InChIInChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/p-1/t14-,20+/m0/s1
InChIKeyQRYRORQUOLYVBU-VBKZILBWSA-M
ChEBI Ontology
Outgoing Relation(s)
carnosate (CHEBI:138943) is a abietane diterpenoid (CHEBI:36762)
carnosate (CHEBI:138943) is a carbotricyclic compound (CHEBI:38032)
carnosate (CHEBI:138943) is a monocarboxylic acid anion (CHEBI:35757)
carnosate (CHEBI:138943) is conjugate base of carnosic acid (CHEBI:65585)
Incoming Relation(s)
carnosic acid (CHEBI:65585) is conjugate acid of carnosate (CHEBI:138943)
IUPAC Name 
11,12-dihydroxyabieta-8,11,13-trien-20-oate
Synonym  Source
11,12-dihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oateChEBI
UniProt Name  Source
carnosateUniProt
Manual XrefsDatabases
CPD-18103MetaCyc
Citations