Details of the Drug

General Information of Drug (ID: DMYF78I)

Drug Name
squalene
Synonyms all-trans-squalene; spinacene; trans-squalene
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C30H50
Canonical SMILES
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
InChI
1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey
YYGNTYWPHWGJRM-AAJYLUCBSA-N
Cross-matching ID
PubChem CID
638072
ChEBI ID
CHEBI:15440
CAS Number
111-02-4
TTD ID
D07ZNO

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3054).