CHEBI:50421 - cyprinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyprinol
ChEBI ID CHEBI:50421
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H48O5
Net Charge 0
Average Mass 452.66702
Monoisotopic Mass 452.35017
InChI InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18?,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey JNMALBXXJSWZQY-VKYZUIDCSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(CO)CO
ChEBI Ontology
Outgoing cyprinol (CHEBI:50421) is a bile alcohol (CHEBI:50420)
Incoming 5α-cyprinol (CHEBI:50422) is a cyprinol (CHEBI:50421)
5β-cyprinol (CHEBI:37913) is a cyprinol (CHEBI:50421)
IUPAC Name
cholestane-3α,7α,12α,26,27-pentol
Last Modified
11 August 2008