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loading...| Preferred Name |
Pentagastrin |
| Synonyms |
pentavlon Pentagastrin ICI 50123 peptavlon |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31974 |
| charge |
0 |
| database_cross_reference |
KEGG:D01631 CAS:5534-95-2 Drug_Central:2088 |
| formula |
C37H49N7O9S |
| has_exact_synonym |
Pentagastrin |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
pentavlon ICI 50123 peptavlon |
| id |
CHEBI:31974 |
| in_subset | |
| 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 |
| label |
Pentagastrin |
| mass |
767.894 |
| monoisotopicmass |
767.33125 |
| notation |
CHEBI:31974 |
| prefLabel |
Pentagastrin |
| 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 |
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| subClassOf |
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