CHEBI:94749 - LSM-5853

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-5853
ChEBI ID CHEBI:94749
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H32N2O
Net Charge 0
Average Mass 328.492
Monoisotopic Mass 328.25146
InChI InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16+,17+,19-,20-,21-/m0/s1
InChIKey LKAJKIOFIWVMDJ-XJKGWNRQSA-N
SMILES C[C@]12CC[C@@H]3[C@H]([C@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C
ChEBI Ontology
Outgoing LSM-5853 (CHEBI:94749) has parent hydride estrane (CHEBI:23966)
LSM-5853 (CHEBI:94749) is a steroid (CHEBI:35341)
Manual Xref Database
LSM-5853 LINCS
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