CHEBI:6102 - Kallidin

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ChEBI Name Kallidin
ChEBI ID CHEBI:6102
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB3305861, eMolecules:502573, ZINC000000013246
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Formula C56H85N17O12
Net Charge 0
Average Mass 1188.383
Monoisotopic Mass 1187.65636
InChI InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey FYSKZKQBTVLYEQ-FSLKYBNLSA-N
SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Kallidin (CHEBI:6102) is a peptide (CHEBI:16670)
Synonyms Sources
Kallidin KEGG COMPOUND
Lysyl-bradykinin KEGG COMPOUND
Lysylbradykinin KEGG COMPOUND
Manual Xref Database
C01505 KEGG COMPOUND
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Registry Number Type Source
342-10-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014