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CHEBI:80238 - T-kinin

ChEBI IDCHEBI:80238
ChEBI NameT-kinin
Stars
DownloadsMolfile
FormulaC59H89N17O14
Net Charge0
Average Mass1260.466
Monoisotopic Mass1259.67749
SMILES[H][C@@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
InChIKeyGKCWYHPGFSRBQV-WRBAKOPXSA-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)
T-kinin (CHEBI:80238) is a peptide (CHEBI:16670)
Synonym  Source
Ile-Ser-bradykininKEGG COMPOUND
Manual XrefsDatabases
C16008KEGG COMPOUND