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CHEBI:7726 - octreotide

ChEBI IDCHEBI:7726
ChEBI Nameoctreotide
Stars
Last Modified9 August 2021
DownloadsMolfile
FormulaC49H66N10O10S2
Net Charge0
Average Mass1019.261
Monoisotopic Mass1018.44048
SMILES[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)NC(CO)[C@@H](C)O)NC1=O
InChIInChI=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
InChIKeyDEQANNDTNATYII-FLDZURHUSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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:
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.
ChEBI Ontology
Outgoing Relation(s)
octreotide (CHEBI:7726) has role hormone agonist (CHEBI:51060)
octreotide (CHEBI:7726) is a homodetic cyclic peptide (CHEBI:24613)
INNs  Source
octreotideChEBI
octréotideChEBI
octreotidaChEBI
octreotidumChEBI
Synonyms  Source
OctreotideKEGG COMPOUND
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)-disulfideChemIDplus
LongastatinChemIDplus
D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfideChemIDplus
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)-disulfideKEGG COMPOUND
octreotide acetateDrugCentral
Manual XrefsDatabases
C07306KEGG COMPOUND
1SOCPDB
DB00104DrugBank
D00442KEGG DRUG
EP29579Patent
US4395403Patent
1980DrugCentral
HMDB0014262HMDB
OctreotideWikipedia
Registry NumbersSources
Beilstein:7246145Beilstein
CAS:83150-76-9KEGG COMPOUND
CAS:83150-76-9ChemIDplus