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CHEBI:231459 - 4β-carboxyl motiol

Default Structure
ChEBI IDCHEBI:231459
ChEBI Name4β-carboxyl motiol
Stars
ASCII Name4beta-carboxyl motiol
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H47O3
Net Charge-1
Average Mass455.703
Monoisotopic Mass455.35307
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=CC[C@]4([H])[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C30H48O3/c1-18(2)19-8-10-22-27(19,4)16-17-28(5)21-9-11-23-26(3,20(21)12-15-29(22,28)6)14-13-24(31)30(23,7)25(32)33/h9,18-20,22-24,31H,8,10-17H2,1-7H3,(H,32,33)/p-1/t19-,20+,22-,23-,24+,26-,27-,28-,29+,30+/m1/s1
InChIKeySAOKDHMYZROAHR-WNXARQBZSA-M
ChEBI Ontology
Outgoing Relation(s)
4β-carboxyl motiol (CHEBI:231459) has functional parent motiol (CHEBI:231458)
4β-carboxyl motiol (CHEBI:231459) is a triterpenoid (CHEBI:36615)
Incoming Relation(s)
2α-hydroxyl, 4β-carboxyl motiol (CHEBI:231460) has functional parent 4β-carboxyl motiol (CHEBI:231459)
UniProt Name  Source
4β-carboxyl motiolUniProt
Citations