CHEBI:147390 - β-casomorphin-7 (human)(1−)

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ChEBI Name β-casomorphin-7 (human)(1−) ChEBI ID CHEBI:147390 ChEBI ASCII Name beta-casomorphin-7 (human)(1-) Definition A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of human β-casomorphin-7. It is the major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT 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 C44H60N7O11 Net Charge -1 Average Mass 863.003 Monoisotopic Mass 862.43563 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)/p-1/t26-,30-,31-,32-,33-,34-,36-,37-/m0/s1 InChIKey ADBHAJDGVKLXHK-LMXUZNBISA-M SMILES C(CC[C@@H](C(N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](CC)C)C([O-])=O)=O)NC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)NC(=O)[C@H]3N(CCC3)C([C@H](CC4=CC=C(C=C4)O)[NH3+])=O)=O)=O)(=O)[O-] Roles Classification 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 β-casomorphin-7 (human)(1−) (CHEBI:147390) has role human metabolite (CHEBI:77746) β-casomorphin-7 (human)(1−) (CHEBI:147390) is a peptide anion (CHEBI:60334) β-casomorphin-7 (human)(1−) (CHEBI:147390) is conjugate base of β-casomorphin-7 (human) (CHEBI:149635) Incoming β-casomorphin-7 (human) (CHEBI:149635) is conjugate acid of β-casomorphin-7 (human)(1−) (CHEBI:147390) IUPAC Name 1-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]-L-prolyl-L-phenylalanyl-L-valyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-N-[(1S,2S)-1-carboxylato-2-methylbutyl]-L-prolinamide Synonyms Sources β-casomorphin-7 UniProt L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-prolyl-L-isoleucine(1−) ChEBI Tyr-Pro-Phe-Val-Glu-Pro-Ile(1−) ChEBI Citations Types Sources 11815627 PubMed citation SUBMITTER 24892772 PubMed citation Europe PMC 26404362 PubMed citation Europe PMC 29519181 PubMed citation Europe PMC Last Modified 04 May 2020