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ergotamine
A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 analgesic [CHEBI:35480] (114) 
 non-narcotic analgesic [CHEBI:35481] (56) 
 ergotamine [CHEBI:64318] (1)
 neurotransmitter agent [CHEBI:35942] (471) 
 adrenergic agent [CHEBI:37962] (143) 
 adrenergic agonist [CHEBI:37886] (42) 
 alpha-adrenergic agonist [CHEBI:35569] (17) 
 ergotamine [CHEBI:64318] (1)
 serotonergic drug [CHEBI:48278] (109) 
 serotonergic agonist [CHEBI:35941] (41) 
 ergotamine [CHEBI:64318] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 cardiovascular drug [CHEBI:35554] (162) 
 vasoconstrictor agent [CHEBI:50514] (29) 
 ergotamine [CHEBI:64318] (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) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 indole alkaloid [CHEBI:38958] (144) 
 terpenoid indole alkaloid [CHEBI:65321] (57) 
 hemiterpenoid indole alkaloid [CHEBI:65322] (28) 
 ergot alkaloid [CHEBI:23943] (28) 
 peptide ergot alkaloid [CHEBI:25904] (1) 
 ergotamine [CHEBI:64318] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 indole alkaloid [CHEBI:38958] (144) 
 terpenoid indole alkaloid [CHEBI:65321] (57) 
 hemiterpenoid indole alkaloid [CHEBI:65322] (28) 
 ergot alkaloid [CHEBI:23943] (28) 
 peptide ergot alkaloid [CHEBI:25904] (1) 
 ergotamine [CHEBI:64318] (1)
ChEBI Compound Accession Identifier  [CHEBI:64318]
ChEBI Compound Description  A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.
ChEBI Compound Identification Number  64318
ChEBI InChI Value  InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
ChEBI InChIKey Value  XCGSFFUVFURLIX-VFGNJEKYSA-N
ChEBI Compound Name  ergotamine
ChEBI SMILES Value  [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc5ccccc5)C(=O)N5CCC[C@@]25[H])C1=O)c34
ChEBI Substance ID  135668323
ChEBI URL  ChEBI:64318
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  XCGSFFUVFURLIX_VFGNJEKYSA_N_000_000000
PubChem Compound ID  8223