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CHEBI:231460 - 2α-hydroxyl, 4β-carboxyl motiol

Default Structure
ChEBI IDCHEBI:231460
ChEBI Name2α-hydroxyl, 4β-carboxyl motiol
Stars
ASCII Name2alpha-hydroxyl, 4beta-carboxyl motiol
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H47O4
Net Charge-1
Average Mass471.702
Monoisotopic Mass471.34798
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=CC[C@]4([H])[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C30H48O4/c1-17(2)18-8-10-22-26(18,3)14-15-28(5)20-9-11-23-27(4,19(20)12-13-29(22,28)6)16-21(31)24(32)30(23,7)25(33)34/h9,17-19,21-24,31-32H,8,10-16H2,1-7H3,(H,33,34)/p-1/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29+,30+/m1/s1
InChIKeyXQMZDRVRGJBBML-ZFOSFCLZSA-M
ChEBI Ontology
Outgoing Relation(s)
2α-hydroxyl, 4β-carboxyl motiol (CHEBI:231460) has functional parent 4β-carboxyl motiol (CHEBI:231459)
2α-hydroxyl, 4β-carboxyl motiol (CHEBI:231460) is a triterpenoid (CHEBI:36615)
UniProt Name  Source
2α-hydroxyl, 4β-carboxyl motiolUniProt
Citations