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CHEBI:80183 - Leucokinin I

ChEBI IDCHEBI:80183
ChEBI NameLeucokinin I
Stars
DownloadsMolfile
FormulaC41H53N11O12
Net Charge0
Average Mass891.940
Monoisotopic Mass891.38752
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)NCC(N)=O
InChIInChI=1S/C41H53N11O12/c1-21(47-40(63)31-12-7-13-52(31)41(64)25(42)16-34(56)57)35(58)48-27(14-22-8-3-2-4-9-22)37(60)50-29(17-32(43)54)38(61)51-30(20-53)39(62)49-28(36(59)46-19-33(44)55)15-23-18-45-26-11-6-5-10-24(23)26/h2-6,8-11,18,21,25,27-31,45,53H,7,12-17,19-20,42H2,1H3,(H2,43,54)(H2,44,55)(H,46,59)(H,47,63)(H,48,58)(H,49,62)(H,50,60)(H,51,61)(H,56,57)/t21-,25-,27-,28-,29-,30-,31-/m0/s1
InChIKeyADMFWPBDASJZNU-SKHNUPMMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucokinin I (CHEBI:80183) is a peptide (CHEBI:16670)
Manual XrefsDatabases
C15927KEGG COMPOUND
Registry NumbersSources
CAS:104600-89-7KEGG COMPOUND