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CHEBI:80311 - Neurokinin A

ChEBI IDCHEBI:80311
ChEBI NameNeurokinin A
Stars
DownloadsMolfile
FormulaC50H80N14O14S
Net Charge0
Average Mass1133.341
Monoisotopic Mass1132.56991
SMILES[H][C@@](CCSC)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cncn1)C(C)O)C(C)C)C(N)=O
InChIInChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28?,31-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1
InChIKeyHEAUFJZALFKPBA-YRVBCFNBSA-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)
Neurokinin A (CHEBI:80311) is a polypeptide (CHEBI:15841)
Synonyms  Source
Neuromedin LKEGG COMPOUND
Substance KKEGG COMPOUND
Manual XrefsDatabases
C16097KEGG COMPOUND