CHEBI:135946 - sincalide

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ChEBI Name sincalide ChEBI ID CHEBI:135946 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C49H62N10O16S3 Net Charge 0 Average Mass 1143.274 Monoisotopic Mass 1142.35074 InChI InChI=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 InChIKey IZTQOLKUZKXIRV-YRVFCXMDSA-N SMILES N(C([C@@H](N[H])CC(O)=O)=O)[C@@H](CC1=CC=C(OS(=O)(=O)O)C=C1)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC4=CC=CC=C4)C(N)=O)=O)=O)=O)=O)=O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing sincalide (CHEBI:135946) is a oligopeptide (CHEBI:25676) Synonyms Sources cholecystokinin-8 ChEBI SQ 19844 DrugCentral SQ-19844 DrugCentral Manual Xref Database 4627 DrugCentral View more database links Registry Number Type Source 25126-32-3 CAS Registry Number DrugCentral Last Modified 11 August 2017