CHEBI:135901 - lanreotide

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ChEBI Name lanreotide ChEBI ID CHEBI:135901 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 C54H69N11O10S2 Net Charge 0 Average Mass 1096.328 Monoisotopic Mass 1095.46703 InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38+,40+,41+,42-,43+,44+,45+,46+/m1/s1 InChIKey PUDHBTGHUJUUFI-PURAGXGVSA-N SMILES C(N[C@H]1CSSC[C@H](NC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CNC4=C3C=CC=C4)=O)=O)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)(=O)[C@](N)([H])CC=5C=C6C=CC=CC6=CC5 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 lanreotide (CHEBI:135901) is a oligopeptide (CHEBI:25676) Synonyms Sources angiopeptin DrugCentral ipstyl DrugCentral lanreotide acetate DrugCentral lanreotide autogel DrugCentral somatulin-autogel DrugCentral somatuline DrugCentral Manual Xref Database 1546 DrugCentral View more database links Registry Number Type Source 108736-35-2 CAS Registry Number DrugCentral Last Modified 23 February 2017