Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07ZNO
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| Former ID |
DIB020980
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| Drug Name |
squalene
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| Synonyms |
all-trans-squalene; spinacene; trans-squalene
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C30H50
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| Canonical SMILES |
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
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| 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+
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| InChIKey |
YYGNTYWPHWGJRM-AAJYLUCBSA-N
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| CAS Number |
CAS 111-02-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3184, 4013, 552930, 589282, 3138747, 8143400, 8704617, 10503920, 10535369, 10584662, 14928845, 29204587, 43760332, 48424201, 49854723, 50125918, 52669595, 53790131, 56311589, 57407741, 87570544, 88828776, 92298462, 99375904, 103601286, 103851224, 113384819, 113528292, 117365615, 117392318, 127269600, 127269601, 127269602, 127269603, 127269604, 127269605, 127269606, 127269607, 127269608, 127269609, 127269610, 127269611, 127269612, 127269613, 127269614, 127269615, 127269616, 127269617, 127269618, 134974713
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| ChEBI ID |
CHEBI:15440
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| References | Top | |||
|---|---|---|---|---|
| REF 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). | |||
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