beta-casomorphin-7 (human) (CHEBI:149635)

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CHEBI:149635 - β-casomorphin-7 (human)

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ChEBI ID	CHEBI:149635
ChEBI Name	β-casomorphin-7 (human)
Stars
ASCII Name	beta-casomorphin-7 (human)
Definition	A seven amino acid oligopeptide fragment of the human milk protein, β-casein. It is an inhibitor of pancreatic elastase, 5-HT₂-serotonin receptors, μ-opioid receptors and δ-opioid receptors.
Last Modified	5 May 2020
Submitter	Adnan
Downloads	Molfile

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:	delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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). serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor
Applications:	delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor

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)
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
H-Tyr-Pro-Phe-Val-Glu-Pro-Ile-OH	ChEBI
human β-casomorphin (1-7)	ChEBI
human β-casomorphin-7	ChEBI
NH₂-Tyr-Pro-Phe-Val-Glu-Pro-Ile-COOH	ChEBI
L-Tyr-L-Pro-L-Phe-L-Val-L-Glu-L-Pro-L-Ile	ChEBI
Tyr-Pro-Phe-Val-Glu-Pro-Ile	ChEBI

Manual Xrefs	Databases
US2010286029	Patent

Registry Numbers	Sources
CAS:102029-74-3	ChEBI

Citations