loading...| Preferred Name | octreotide | |
| Synonyms |
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 Octreotide |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7726 |
|
| alternative label |
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 Octreotide |
|
| 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 exact synonym |
Octreotide |
|
| has role | ||
| 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 | ||
| 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 |
|
| 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 |