CHEBI:31974 - Pentagastrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pentagastrin
ChEBI ID CHEBI:31974
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C37H49N7O9S
C37H49N7O9S
Net Charge 0
Average Mass 767.894
Monoisotopic Mass 767.33125
InChI InChI=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
InChIKey NEYNJQRKHLUJRU-DZUOILHNSA-N
SMILES C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N)=O)=O)=O)=O)(=O)CCNC(=O)OC(C)(C)C
ChEBI Ontology
Outgoing Pentagastrin (CHEBI:31974) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
ICI 50123 DrugCentral
Pentagastrin KEGG COMPOUND
pentavlon DrugCentral
peptavlon DrugCentral
Manual Xrefs Databases
2088 DrugCentral
D01631 KEGG DRUG
View more database links
Registry Number Type Source
5534-95-2 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017