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CHEBI:80312 - Neurokinin B

ChEBI IDCHEBI:80312
ChEBI NameNeurokinin B
Stars
DownloadsMolfile
FormulaC55H79N13O14S2
Net Charge0
Average Mass1210.448
Monoisotopic Mass1209.53109
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](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O
InChIInChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChIKeyNHXYSAFTNPANFK-HDMCBQFHSA-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 B (CHEBI:80312) is a polypeptide (CHEBI:15841)
Synonyms  Source
Neuromedin KKEGG COMPOUND
Tachykinin-3KEGG COMPOUND
Manual XrefsDatabases
C16098KEGG COMPOUND