CHEBI:145965 - 5a-cholestane-3a,7a,12a,25-tetrol

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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 5a-cholestane-3a,7a,12a,25-tetrol
ChEBI ID CHEBI:145965
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/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey NTIXPPFPXLYJCT-SWXWTCIYSA-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@@](CCCC(C)(C)O)(C)[H])[H])[H])C)O)([C@@]12C)[H])[H])O)[H])O
ChEBI Ontology
Outgoing 5a-cholestane-3a,7a,12a,25-tetrol (CHEBI:145965) has parent hydride 5α-cholane (CHEBI:20642)
5a-cholestane-3a,7a,12a,25-tetrol (CHEBI:145965) is a 12α-hydroxy steroid (CHEBI:36846)
5a-cholestane-3a,7a,12a,25-tetrol (CHEBI:145965) is a 25-hydroxy steroid (CHEBI:36864)
5a-cholestane-3a,7a,12a,25-tetrol (CHEBI:145965) is a 3α-hydroxy steroid (CHEBI:36835)
5a-cholestane-3a,7a,12a,25-tetrol (CHEBI:145965) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
5alpha-cholestane-3alpha,7alpha,12alpha,25-tetrol
Manual Xref Database
LMST04030031 LIPID MAPS instance accession
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