CHEBI:149641 - neocasomorphin

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ChEBI Name neocasomorphin ChEBI ID CHEBI:149641 Definition A six amino acid oligopeptide fragment of the human milk protein, β-casein. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C35H52N6O10 Net Charge 0 Average Mass 716.833 Monoisotopic Mass 716.37449 InChI InChI=1S/C35H52N6O10/c1-5-20(4)29(35(50)51)39-31(46)26-9-7-17-41(26)34(49)24(14-15-27(43)44)37-32(47)28(19(2)3)38-30(45)25-8-6-16-40(25)33(48)23(36)18-21-10-12-22(42)13-11-21/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23-,24-,25-,26-,28-,29-/m0/s1 InChIKey OFSHRWCWYJBWJP-NMVUUJPQSA-N SMILES N1([C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N2[C@@H](CCC2)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)=O)C(C)C)C([C@H](CC3=CC=C(C=C3)O)N)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing neocasomorphin (CHEBI:149641) has role human metabolite (CHEBI:77746) neocasomorphin (CHEBI:149641) is a oligopeptide (CHEBI:25676) neocasomorphin (CHEBI:149641) is conjugate acid of neocasomorphin(1−) (CHEBI:147417) Incoming neocasomorphin(1−) (CHEBI:147417) is conjugate base of neocasomorphin (CHEBI:149641) IUPAC Name L-tyrosyl-L-prolyl-L-valyl-L-α-glutamyl-L-prolyl-L-isoleucine Synonyms Sources human neocasomorphin ChEBI L-Tyr-L-Pro-L-Val-L-Glu-L-Pro-L-Ile ChEBI neocasomorphin (1-6) ChEBI neocasomorphin (human) ChEBI neocasomorphin-6 ChEBI Tyr-Pro-Val-Glu-Pro-Ile ChEBI Y-P-V-E-P-I ChEBI YPVEPI ChEBI Manual Xref Database HMDB0060164 HMDB View more database links Registry Number Type Source 444667-24-7 CAS Registry Number ChEBI Citations Types Sources 10503774 PubMed citation Europe PMC 11815627 PubMed citation Europe PMC 15464852 PubMed citation Europe PMC 25335546 PubMed citation Europe PMC 26616950 PubMed citation Europe PMC Last Modified 05 May 2020

General Comment 2020-05-05 The structure shown is that of human neocasomorphin. Bovine neocasomorphin has sequence Tyr-Pro-Val-Glu-Pro-Phe.