CHEBI:229937 - 25-hydroxy-atrotosterone A

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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 25-hydroxy-atrotosterone A
ChEBI ID CHEBI:229937
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H46O8
Net Charge 0
Average Mass 510.668
Monoisotopic Mass 510.31927
InChI InChI=1S/C28H46O8/c1-14(24(2,3)34)9-22(33)27(6,35)21-7-8-28(36)16-11-17(29)15-10-18(30)19(31)12-25(15,4)23(16)20(32)13-26(21,28)5/h11,14-15,18-23,30-36H,7-10,12-13H2,1-6H3/t14?,15-,18+,19-,20+,21-,22+,23+,25-,26+,27+,28+/m0/s1
InChIKey FSNRQNKYLJDXMZ-UPLPEXDLSA-N
SMILES C1[C@@]2([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@]([C@@H](CC(C(C)(C)O)C)O)(C)O)[H])(C[C@H]3O)C)O)=CC([C@@]2(C[C@H]([C@H]1O)O)[H])=O)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 25-hydroxy-atrotosterone A (CHEBI:229937) is a steroid (CHEBI:35341)
IUPAC Name
2β,3β,11α,14α,20R,22R,25-heptahydroxy-24-methyl-5β-cholest-7-en-6-one
Manual Xref Database
LMST01031321 LIPID MAPS
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