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

ChEBI IDCHEBI:147390
ChEBI Nameβ-casomorphin-7 (human)(1−)
Stars
ASCII Namebeta-casomorphin-7 (human)(1-)
DefinitionA 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.
Last Modified4 May 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC44H60N7O11
Net Charge-1
Average Mass863.002
Monoisotopic Mass862.43563
SMILESCC[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]([NH3+])Cc1ccc(O)cc1)C(C)C)C(=O)[O-]
InChIInChI=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
InChIKeyADBHAJDGVKLXHK-LMXUZNBISA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Tyr-Pro-Phe-Val-Glu-Pro-Ile(1−)ChEBI
L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-prolyl-L-isoleucine(1−)ChEBI
UniProt Name  Source
β-casomorphin-7UniProt
Citations