CHEBI:172659 - 11'-Carboxy-alpha-chromanol

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 11'-Carboxy-alpha-chromanol
ChEBI ID CHEBI:172659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1
InChIKey FKTCHXAVPYGOSM-CUAXAMRHSA-N
SMILES O1[C@](CCC[C@H](CCC[C@H](CCC(O)=O)C)C)(CCC2=C1C(=C(C(O)=C2C)C)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 11'-Carboxy-alpha-chromanol (CHEBI:172659) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundecanoic acid
Manual Xrefs Databases
30776627 ChemSpider
HMDB0012515 HMDB
View more database links