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CHEBI:749391 - lanreotide acetate

Default Structure
ChEBI IDCHEBI:749391
ChEBI Namelanreotide acetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H4O2.C54H69N11O10S2
Net Charge0
Average Mass1156.399
Monoisotopic Mass1155.48816
SMILESCC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
InChIInChI=1S/C54H69N11O10S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t30-,38-,40+,41+,42-,43+,44+,45+,46+;/m1./s1
InChIKeyDEXPIBGCLCPUHE-UISHROKMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lanreotide acetate (CHEBI:749391) has role antineoplastic agent (CHEBI:35610)
lanreotide acetate (CHEBI:749391) is a polypeptide (CHEBI:15841)
Synonyms  Source
BIM-23014CChEMBL
Somatuline lpChEMBL
Brand Name  Source
Somatuline depotChEMBL
Citations