The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

Octreotide

Synonyms

Octreotide

octreotidum

D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide

Longastatin

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

sandostatine

SMS-201-995

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

octreotide acetate

octreotida

octreotide

ID

http://purl.obolibrary.org/obo/CHEBI_7726

charge

0

database_cross_reference

DrugBank:DB00104

KEGG:C07306

CAS:83150-76-9

KEGG:D00442

HMDB:HMDB0014262

Wikipedia:Octreotide

Patent:EP29579

Drug_Central:1980

Patent:US4395403

Beilstein:7246145

PDB:1SOC

formula

C49H66N10O10S2.2C2H4O2

C49H66N10O10S2

has role

http://purl.obolibrary.org/obo/CHEBI_51060

has_exact_synonym

Octreotide

has_obo_namespace

chebi_ontology

has_related_synonym

octreotidum

D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide

Longastatin

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

sandostatine

SMS-201-995

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

octreotide acetate

octreotida

octreotide

has_RxCUI

7617

id

CHEBI:7726

in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR

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

label

Octreotide

octreotide

mass

1019.24174

notation

CHEBI:7726

prefLabel

Octreotide

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24613

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http://purl.obolibrary.org/obo/CHEBI_7726 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7726 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7726 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7726 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7726 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/OMIT_0016068 OMIT LOOM
http://purl.obolibrary.org/obo/CHEBI_7726 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_7726 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_7726 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_7726 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_7726 NIFSTD LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0028833 OCHV LOOM
http://purl.bioontology.org/ontology/MESH/D015282 MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_77260 FIDEO LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018774 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/ATC/H01CB02 ATC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU035158 LOINC LOOM
http://www.co-ode.org/ontologies/galen#Octreotide GALEN LOOM
http://purl.obolibrary.org/obo/dinto_DB00104 DINTO LOOM
http://purl.bioontology.org/ontology/RCD/he6.. RCD LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147950 NDFRT LOOM
https://go.drugbank.com/drugs/DB00104 MDM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.641.650 RH-MESH LOOM
http://purl.obolibrary.org/obo/MESH_D015282 BERO LOOM
http://www.drugbank.ca/drugs/DB00104 FTC LOOM
http://purl.obolibrary.org/obo/NCIT_C711 BERO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#8891 OCHV LOOM
http://purl.bioontology.org/ontology/RXNORM/7617 RXNORM LOOM
http://purl.bioontology.org/ontology/VANDF/4019864 VANDF LOOM
http://purl.bioontology.org/ontology/NDDF/002107 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D015282 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C711 NCIT LOOM
http://purl.jp/bio/4/id/200906025800883074 IOBC LOOM
http://stirdf.jst.go.jp/id/200907079083884180 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/LP97954-9 LOINC LOOM
http://purl.bioontology.org/ontology/CSP/4007-0092 CRISP LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/109053000 SNOMEDCT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.345.566.650 RH-MESH LOOM