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CHEBI:31974 - Pentagastrin

Default Structure
ChEBI IDCHEBI:31974
ChEBI NamePentagastrin
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC37H49N7O9S
Net Charge0
Average Mass767.906
Monoisotopic Mass767.33125
SMILESCSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
InChIKeyNEYNJQRKHLUJRU-DZUOILHNSA-N
ChEBI Ontology
Outgoing Relation(s)
Pentagastrin (CHEBI:31974) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
ICI 50123DrugCentral
PentagastrinKEGG COMPOUND
pentavlonDrugCentral
peptavlonDrugCentral
Manual XrefsDatabases
2088DrugCentral
D01631KEGG DRUG
Registry NumbersSources
CAS:5534-95-2KEGG COMPOUND