CHEBI:149580 - 5b-Cholestane-3a,7a,12a,23-tetrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5b-Cholestane-3a,7a,12a,23-tetrol
ChEBI ID CHEBI:149580
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H48O4
Net Charge 0
Average Mass 436.677
Monoisotopic Mass 436.35526
InChI InChI=1S/C27H48O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey VGCSSPQIZFVVCH-UVBCEDGCSA-N
SMILES C1C[C@H](C[C@]2(C[C@H]([C@@]3([C@](C[C@@H]([C@]4([C@]3(CC[C@@]4([C@@](CC(CC(C)C)O)(C)[H])[H])[H])C)O)([C@@]12C)[H])[H])O)[H])O
ChEBI Ontology
Outgoing 5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) has parent hydride 5β-cholestane (CHEBI:35517)
5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) is a 12α-hydroxy steroid (CHEBI:36846)
5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) is a 23-hydroxy steroid (CHEBI:36866)
5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) is a 3α-hydroxy steroid (CHEBI:36835)
5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) is a 7α-hydroxy steroid (CHEBI:36843)
Manual Xref Database
LMST04030033 LIPID MAPS instance accession
View more database links