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CHEBI:7726 - octreotide

Default Structure
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
octreotidaChEBI
octreotideChEBI
octréotideChEBI
octreotidumChEBI
Synonyms  Source
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
LongastatinChemIDplus
OctreotideKEGG COMPOUND
octreotide acetateDrugCentral
sandostatineDrugCentral
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
Manual XrefsDatabases
1980DrugCentral
1SOCPDB
C07306KEGG COMPOUND
D00442KEGG DRUG
DB00104DrugBank
EP29579Patent
HMDB0014262HMDB
OctreotideWikipedia
US4395403Patent
Registry NumbersSources
Beilstein:7246145Beilstein
CAS:83150-76-9KEGG COMPOUND
CAS:83150-76-9ChemIDplus