CHEBI:144393 - Sarcoaldesterol 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 Sarcoaldesterol A
ChEBI ID CHEBI:144393
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H52O4
Net Charge 0
Average Mass 476.733
Monoisotopic Mass 476.387
InChI InChI=1S/C30H52O4/c1-16(2)18(4)27(5)14-23(27)17(3)21-8-9-22-20-12-25(33)30(34)13-19(31)10-11-29(30,7)26(20)24(32)15-28(21,22)6/h16-26,31-34H,8-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey WIHVWOTVUSDCRF-LYBIKMEUSA-N
SMILES O[C@]12[C@@]([C@H]3[C@H](O)C[C@@]4([C@@H]([C@@H]([C@@H]5[C@]([C@@H](C(C)C)C)(C)C5)C)CC[C@H]4[C@@H]3C[C@H]1O)C)(CC[C@@H](C2)O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
ChEBI Ontology
Outgoing Sarcoaldesterol A (CHEBI:144393) has parent hydride gorgostane (CHEBI:24424)
Sarcoaldesterol A (CHEBI:144393) is a steroid (CHEBI:35341)
IUPAC Name
(3S,5R,6R,8S,9S,10R,11R,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,11-tetrol
Manual Xref Database
C19656 KEGG COMPOUND
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