loading...| Preferred Name |
lysergic acid |
|
| Synonyms |
Lysergic acid (8R)-9,10-didehydro-6-methylergoline-8-carboxylic acid (8beta)-9,10-didehydro-6-methylergoline-8-carboxylic acid |
|
| Definitions |
An ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6604 |
|
| charge |
0 |
|
| database_cross_reference |
KNApSAcK:C00011201 Beilstein:90713 KEGG:C07541 Reaxys:90713 CAS:82-58-6 |
|
| definition |
An ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. |
|
| formula |
C16H16N2O2 |
|
| has parent hydride | ||
| has_exact_synonym |
Lysergic acid (8R)-9,10-didehydro-6-methylergoline-8-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(8beta)-9,10-didehydro-6-methylergoline-8-carboxylic acid |
|
| id |
CHEBI:6604 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14-/m1/s1 |
|
| inchikey |
ZAGRKAFMISFKIO-QMTHXVAHSA-N |
|
| label |
lysergic acid |
|
| mass |
268.31052 |
|
| monoisotopicmass |
268.12118 |
|
| notation |
CHEBI:6604 |
|
| prefLabel |
lysergic acid |
|
| smiles |
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(O)=O)c34 |
|
| treeView | ||
| subClassOf |