CHEBI:7726 - octreotide

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ChEBI Name octreotide
ChEBI ID CHEBI:7726
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formulae C49H66N10O10S2
C49H66N10O10S2.2C2H4O2
Net Charge 0
Average Mass 1019.24174
InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39?,40+,41+,42+/m1/s1
InChIKey DEQANNDTNATYII-FLDZURHUSA-N
SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)NC(CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)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 )
Biological Role(s): hormone agonist
A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
Application(s): hormone agonist
A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing octreotide (CHEBI:7726) has role hormone agonist (CHEBI:51060)
octreotide (CHEBI:7726) is a homodetic cyclic peptide (CHEBI:24613)
INNs Sources
octreotida ChEBI
octréotide ChEBI
octreotide ChEBI
octreotidum ChEBI
Synonyms Sources
D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2->7)-disulfide KEGG COMPOUND
D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide ChemIDplus
D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide cyclic (2→7)-disulfide ChemIDplus
Longastatin ChemIDplus
Octreotide KEGG COMPOUND
octreotide acetate DrugCentral
sandostatine DrugCentral
SMS-201-995 DrugCentral
Manual Xrefs Databases
1980 DrugCentral
1SOC PDB
C07306 KEGG COMPOUND
D00442 KEGG DRUG
DB00104 DrugBank
EP29579 Patent
HMDB0014262 HMDB
Octreotide Wikipedia
US4395403 Patent
View more database links
Registry Numbers Types Sources
7246145 Beilstein Registry Number Beilstein
83150-76-9 CAS Registry Number ChemIDplus
Last Modified
09 August 2021