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CHEBI:1720 - 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate

ChEBI IDCHEBI:1720
ChEBI Name3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@]1([C@]([H])(C)CCCC(C)C)CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C(=O)O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h9,17-18,20-25,29H,6-8,10-16H2,1-5H3,(H,30,31)/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1
InChIKeyFXBZYWGMTFSORP-QPCSTCLVSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate (CHEBI:1720) is a cholestanoid (CHEBI:50401)
Synonym  Source
3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylateKEGG COMPOUND
Manual XrefsDatabases
C04746KEGG COMPOUND