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CHEBI:149635 - β-casomorphin-7 (human)
| Formula | C44H61N7O11 |
| Net Charge | 0 |
| Average Mass | 864.010 |
| Monoisotopic Mass | 863.44291 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O |
| InChI | InChI=1S/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)/t26-,30-,31-,32-,33-,34-,36-,37-/m0/s1 |
| InChIKey | ADBHAJDGVKLXHK-LMXUZNBISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.4.21.36 (pancreatic elastase) inhibitor An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the activity of pancreatic elastase (EC 3.4.21.36). delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Applications: | delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-casomorphin-7 (human) (CHEBI:149635) has role EC 3.4.21.36 (pancreatic elastase) inhibitor (CHEBI:149639) |
| β-casomorphin-7 (human) (CHEBI:149635) has role human metabolite (CHEBI:77746) |
| β-casomorphin-7 (human) (CHEBI:149635) has role serotonergic antagonist (CHEBI:48279) |
| β-casomorphin-7 (human) (CHEBI:149635) has role δ-opioid receptor antagonist (CHEBI:59283) |
| β-casomorphin-7 (human) (CHEBI:149635) has role μ-opioid receptor antagonist (CHEBI:50137) |
| β-casomorphin-7 (human) (CHEBI:149635) is a oligopeptide (CHEBI:25676) |
| β-casomorphin-7 (human) (CHEBI:149635) is conjugate acid of β-casomorphin-7 (human)(1−) (CHEBI:147390) |
| Incoming Relation(s) |
| β-casomorphin-7 (human)(1−) (CHEBI:147390) is conjugate base of β-casomorphin-7 (human) (CHEBI:149635) |
| IUPAC Name |
|---|
| L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-prolyl-L-isoleucine |
| Synonyms | Source |
|---|---|
| L-Tyr-L-Pro-L-Phe-L-Val-L-Glu-L-Pro-L-Ile | ChEBI |
| Tyr-Pro-Phe-Val-Glu-Pro-Ile | ChEBI |
| H-Tyr-Pro-Phe-Val-Glu-Pro-Ile-OH | ChEBI |
| human β-casomorphin-7 | ChEBI |
| NH2-Tyr-Pro-Phe-Val-Glu-Pro-Ile-COOH | ChEBI |
| YPFVEPI | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| US2010286029 | Patent |
| Registry Numbers | Sources |
|---|---|
| CAS:102029-74-3 | ChEBI |
| Citations |
|---|