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CHEBI:149657 - β-casochemotide-1

ChEBI IDCHEBI:149657
ChEBI Nameβ-casochemotide-1
Stars
ASCII Namebeta-casochemotide-1
DefinitionA five amino acid oligopeptide fragment of the human and bovine milk protein, β-casein. It acts as an inducer of macrophage chemotaxis.
Last Modified5 May 2020
SubmitterAdnan
DownloadsMolfile
FormulaC29H41N5O9
Net Charge0
Average Mass603.673
Monoisotopic Mass603.29043
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/t19-,20-,21-,22-,24-/m0/s1
InChIKeyWRNQQFNBEUKAAX-YGQNSOCVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
β-casochemotide-1 (CHEBI:149657) has role human metabolite (CHEBI:77746)
β-casochemotide-1 (CHEBI:149657) has role mammalian metabolite (CHEBI:75768)
β-casochemotide-1 (CHEBI:149657) is a oligopeptide (CHEBI:25676)
β-casochemotide-1 (CHEBI:149657) is conjugate acid of beta-casochemotide-1(1−) (CHEBI:147418)
Incoming Relation(s)
beta-casochemotide-1(1−) (CHEBI:147418) is conjugate base of β-casochemotide-1 (CHEBI:149657)
IUPAC Name 
L-tyrosyl-L-prolyl-L-valyl-L-α-glutamyl-L-proline
Synonyms  Source
neocasomorphin (1-5)ChEBI
neocasomorphin-(1-5)ChEBI
L-Tyr-L-Pro-L-Val-L-Glu-L-ProChEBI
Tyr-Pro-Val-Glu-ProChEBI
H-Tyr-Pro-Val-Glu-Pro-OHChEBI
YPVEPChEBI
Manual XrefsDatabases
WO2004092206Patent
HMDB0060144HMDB
Citations