Fenugreekine
chemical compound
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Fenugreekine
Summary
Fenugreekine is a group of stereoisomers[1].
Key Facts
- Fenugreekine's instance of is recorded as group of stereoisomers[2].
- Fenugreekine's canonical SMILES is recorded as C1=CC(=NC(=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N[3].
- Fenugreekine's InChI is recorded as InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1[4].
- Fenugreekine's InChIKey is recorded as LFERELMXERXKKQ-KMXXXSRASA-N[5].
- Fenugreekine's chemical formula is recorded as C₂₁H₂₇N₇O₁₄P₂[6].
- Fenugreekine's subclass of is recorded as chemical compound[7].
- Fenugreekine's ChEMBL ID is recorded as CHEMBL1235132[8].
- Fenugreekine's PDB structure ID is recorded as 1ADC[9].
- Fenugreekine's PDB structure ID is recorded as 1A72[10].
- Fenugreekine's ChemSpider ID is recorded as 392166[11].
- Fenugreekine's PubChem CID is recorded as 444170[12].
- Fenugreekine's PubChem CID is recorded as 5289104[13].
- Fenugreekine's ChEBI ID is recorded as 172790[14].
- Fenugreekine's DrugBank ID is recorded as DB04071[15].
- Fenugreekine's isomeric SMILES is recorded as C1=CC(=NC(=C1)[C@H]2C@@HO)C(=O)NC@@HO)C(=O)N">[16].
- Fenugreekine's Human Metabolome Database ID is recorded as HMDB0039421[17].
- Fenugreekine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+663.109'}[18].
- Fenugreekine's SureChEMBL ID is recorded as 29362483[19].
- Fenugreekine's PDB ligand ID is recorded as PAD[20].
- Fenugreekine's UniChem compound ID is recorded as 644291[21].
- Fenugreekine's Probes And Drugs ID is recorded as PD059400[22].