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CHEBI:142048 - ML-236A carboxylate

ChEBI IDCHEBI:142048
ChEBI NameML-236A carboxylate
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H27O5
Net Charge-1
Average Mass323.409
Monoisotopic Mass323.18640
SMILES[H][C@@]12C(=CCC[C@@H]1O)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C18H28O5/c1-11-5-6-12-3-2-4-16(21)18(12)15(11)8-7-13(19)9-14(20)10-17(22)23/h3,5-6,11,13-16,18-21H,2,4,7-10H2,1H3,(H,22,23)/p-1/t11-,13+,14+,15-,16-,18-/m0/s1
InChIKeyCKSMAJWSIYUHLV-DZSDEGEFSA-M
ChEBI Ontology
Outgoing Relation(s)
ML-236A carboxylate (CHEBI:142048) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
UniProt Name  Source
ML-236A carboxylateUniProt
Citations