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CHEBI:234354 - chemerin-9

Default Structure
ChEBI IDCHEBI:234354
ChEBI Namechemerin-9
Stars
DefinitionChemerin-9, Mouse is a chemokine-like receptor 1 (CMKLR1) agonist (EC50 = 42 nM). Corresponds to C-terminal of full length mouse Chemerin, amino acids 148 - 156.
Submitteraxiao
DownloadsMolfile
FormulaC51H68N10O12
Net Charge0
Average Mass1013.163
Monoisotopic Mass1012.50182
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C51H68N10O12/c1-30(2)24-39(59-45(66)35(52)25-32-14-7-4-8-15-32)50(71)61-23-13-20-41(61)49(70)54-28-43(64)56-36(21-22-42(53)63)46(67)58-37(26-33-16-9-5-10-17-33)47(68)55-31(3)44(65)57-38(27-34-18-11-6-12-19-34)48(69)60-40(29-62)51(72)73/h4-12,14-19,30-31,35-41,62H,13,20-29,52H2,1-3H3,(H2,53,63)(H,54,70)(H,55,68)(H,56,64)(H,57,65)(H,58,67)(H,59,66)(H,60,69)(H,72,73)/t31-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKeyLJNIVNOHMNNKET-YOPQPAPTSA-N
ChEBI Ontology
Outgoing Relation(s)
chemerin-9 (CHEBI:234354) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:686324-96-9SUBMITTER