CHEBI:191231 - (2s,4s)-Alpha-Campholinic Acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2s,4s)-Alpha-Campholinic Acid
ChEBI ID CHEBI:191231
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O3
Net Charge 0
Average Mass 186.251
Monoisotopic Mass 186.12559
InChI InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey KAXFPJKKGITBPU-RQJHMYQMSA-N
SMILES O=C1[C@H](C([C@@H](C1)CC(O)O)(C)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing (2s,4s)-Alpha-Campholinic Acid (CHEBI:191231) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentan-1-one
Manual Xrefs Databases
4450169 ChemSpider
CAX PDBeChem
DB02906 KEGG DRUG
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