CHEBI:94673 - LSM-5687

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-5687
ChEBI ID CHEBI:94673
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H33FO6
Net Charge 0
Average Mass 436.515
Monoisotopic Mass 436.22612
InChI InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14+,16+,17+,19-,20-,22+,23+,24-/m1/s1
InChIKey POPFMWWJOGLOIF-YREZUZEHSA-N
SMILES C[C@]12CCC(=O)C=C1[C@H](C[C@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
ChEBI Ontology
Outgoing LSM-5687 (CHEBI:94673) is a 21-hydroxy steroid (CHEBI:35344)
Manual Xref Database
LSM-5687 LINCS
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