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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
ChEBI ID CHEBI:1720
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H46O3
Net Charge 0
Average Mass 430.664
Monoisotopic Mass 430.34470
InChI InChI=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
InChIKey FXBZYWGMTFSORP-QPCSTCLVSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H]([C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
ChEBI Ontology
Outgoing 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate (CHEBI:1720) is a cholestanoid (CHEBI:50401)
Synonym Source
3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate KEGG COMPOUND
Manual Xref Database
C04746 KEGG COMPOUND
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Last Modified
28 July 2014