CHEBI:145966 - 5b-cholestane-3a,7a,12a,23S,25-pentol

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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,23S,25-pentol
ChEBI ID CHEBI:145966
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C27H48O5
Net Charge 0
Average Mass 452.676
Monoisotopic Mass 452.35017
InChI InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey OXSBBBPDYVCAKC-WGFUQMKWSA-N
SMILES [C@]12([C@](C[C@@H]([C@]3([C@]1(CC[C@@]3([C@@](C[C@@H](CC(C)(C)O)O)(C)[H])[H])[H])C)O)([C@@]4([C@](C[C@H]2O)(C[C@@H](CC4)O)[H])C)[H])[H]
ChEBI Ontology
Outgoing 5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) has parent hydride 5β-cholestane (CHEBI:35517)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) is a 12-hydroxy steroid (CHEBI:36845)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) is a 23-hydroxy steroid (CHEBI:36866)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) is a 25-hydroxy steroid (CHEBI:36864)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) is a 3α-hydroxy steroid (CHEBI:36835)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) is a 7α-hydroxy steroid (CHEBI:36843)
Manual Xref Database
LMST01010241 LIPID MAPS instance accession
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