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CHEBI:135946 - sincalide

ChEBI IDCHEBI:135946
ChEBI Namesincalide
Stars
Last Modified11 August 2017
DownloadsMolfile
FormulaC49H62N10O16S3
Net Charge0
Average Mass1143.290
Monoisotopic Mass1142.35074
SMILES[H]N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyIZTQOLKUZKXIRV-YRVFCXMDSA-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)
sincalide (CHEBI:135946) is a oligopeptide (CHEBI:25676)
Synonyms  Source
SQ-19844DrugCentral
SQ 19844DrugCentral
cholecystokinin-8ChEBI
Manual XrefsDatabases
4627DrugCentral
Registry NumbersSources
CAS:25126-32-3DrugCentral