| more general categories |
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| 03. Biological Effects of Specific Chemicals |
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03. Biological Effects of Specific Chemicals |
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ergotamine [CHEBI:64318] (1) |
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ergotamine [CHEBI:64318] (1) |
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ergotamine [CHEBI:64318] (1) |
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| 05. Industrial Uses |
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05. Industrial Uses |
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ergotamine [CHEBI:64318] (1) |
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| 08. Chemical Category |
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08. Chemical Category |
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ergotamine [CHEBI:64318] (1) |
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ergotamine [CHEBI:64318] (1) |
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| 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 |