EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:147391 - β-casomorphin-6 (human)(1−)

ChEBI IDCHEBI:147391
ChEBI Nameβ-casomorphin-6 (human)(1−)
Stars
ASCII Namebeta-casomorphin-6 (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-6. It is the major species at pH 7.3.
Last Modified4 May 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC38H49N6O10
Net Charge-1
Average Mass749.842
Monoisotopic Mass749.35157
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C38H50N6O10/c1-22(2)32(35(50)40-27(16-17-31(46)47)37(52)44-19-7-11-30(44)38(53)54)42-33(48)28(21-23-8-4-3-5-9-23)41-34(49)29-10-6-18-43(29)36(51)26(39)20-24-12-14-25(45)15-13-24/h3-5,8-9,12-15,22,26-30,32,45H,6-7,10-11,16-21,39H2,1-2H3,(H,40,50)(H,41,49)(H,42,48)(H,46,47)(H,53,54)/p-1/t26-,27-,28-,29-,30-,32-/m0/s1
InChIKeyWUHXJZCLFYNVBB-RUAREOIKSA-M
ChEBI Ontology
Outgoing Relation(s)
β-casomorphin-6 (human)(1−) (CHEBI:147391) is a peptide anion (CHEBI:60334)
β-casomorphin-6 (human)(1−) (CHEBI:147391) is conjugate base of β-casomorphin-6 (human) (CHEBI:149640)
Incoming Relation(s)
β-casomorphin-6 (human) (CHEBI:149640) is conjugate acid of β-casomorphin-6 (human)(1−) (CHEBI:147391)
IUPAC Name 
1-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-{[(2S)-1-({(2S)-4-carboxylato-1-[(2S)-2-carboxylatopyrrolidin-1-yl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]-L-prolinamide
Synonyms  Source
L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-proline(1−)ChEBI
Tyr-Pro-Phe-Val-Glu-Pro(1−)ChEBI
UniProt Name  Source
β-casomorphin-6UniProt
Citations