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Chemical Entities of Biological Interest Ontology
| Preferred Name | desmopressin | |
| Synonyms |
desmopressine 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin desmopresina desmopressinum 1-deamino-8-D-arginine vasopressin desmopressin 1-desamino-8-D-arginine vasopressin DDAVP 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide |
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| Definitions |
A synthetic analogue of vasopressin in which 3-mercaptopropionic acid replaces the cysteine residue at position 1 and D-arginine replaces the residue at position 8. An antidiuretic, it increases urine concentration and decreases urine production, and is used (usually as the trihydrate of the acetic acid salt) to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4450 |
|
| charge |
0
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|
| database_cross_reference |
KEGG:C06944 Beilstein:4651966 KEGG:D00291 CAS:16679-58-6 DrugBank:DB00035 Drug_Central:817
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|
| definition |
A synthetic analogue of vasopressin in which 3-mercaptopropionic acid replaces the cysteine residue at position 1 and D-arginine replaces the residue at position 8. An antidiuretic, it increases urine concentration and decreases urine production, and is used (usually as the trihydrate of the acetic acid salt) to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function.
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| formula |
C46H64N14O12S2
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| has role |
http://purl.obolibrary.org/obo/CHEBI_33295 |
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| has_exact_synonym |
1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
desmopressine 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin desmopresina desmopressinum 1-deamino-8-D-arginine vasopressin desmopressin 1-desamino-8-D-arginine vasopressin DDAVP
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|
| id |
CHEBI:4450
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| in_subset | ||
| inchi |
InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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| inchikey |
NFLWUMRGJYTJIN-PNIOQBSNSA-N
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|
| label |
desmopressin
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|
| mass |
1069.21700
|
|
| monoisotopicmass |
1068.42696
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|
| notation |
CHEBI:4450
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|
| prefLabel |
desmopressin
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| smiles |
NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
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