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pasireotide
"A six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease."

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08. Chemical Category: main group molecular entity [CHEBI:33579] > p-block molecular entity [CHEBI:33675] > pnictogen molecular entity [CHEBI:33302] > nitrogen molecular entity [CHEBI:51143] > amide [CHEBI:32988] > primary amide [CHEBI:33256] > carboxamide [CHEBI:37622] > peptide [CHEBI:16670] > cyclic peptide [CHEBI:23449] > homodetic cyclic peptide [CHEBI:24613] > pasireotide [CHEBI:72312]
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more general categories    information about this item
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 pasireotide [CHEBI:72312] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 cyclic peptide [CHEBI:23449] (75) 
 homodetic cyclic peptide [CHEBI:24613] (46) 
 pasireotide [CHEBI:72312] (1)
 peptide hormone [CHEBI:25905] (16) 
 pasireotide [CHEBI:72312] (1)
ChEBI Compound Accession Identifier:   [CHEBI:72312]
ChEBI Compound Description:   "A six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease."
ChEBI Compound Identification Number:   72312
ChEBI InChI Value:   InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1
ChEBI InChIKey Value:   VMZMNAABQBOLAK-DBILLSOUSA-N
ChEBI Compound Name:   pasireotide
ChEBI SMILES Value:   NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O)OC(=O)NCCN)c1ccccc1
ChEBI Substance ID:   160962833
ChEBI URL:   ChEBI:72312
ChemSpider ID:   8117062
Ontomatica Chemical Accession Key (OnChAKey):   VMZMNAABQBOLAK_DBILLSOUSA_N_000_000000
PubChem Compound ID:   9941444