CHEBI:23325 - clavicipitic acid

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ChEBI Name clavicipitic acid
ChEBI ID CHEBI:23325
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H18N2O2
Net Charge 0
Average Mass 270.32640
Monoisotopic Mass 270.13683
InChI InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)
InChIKey VZMAHZAQMKNJIG-UHFFFAOYSA-N
SMILES CC(C)=CC1NC(Cc2c[nH]c3cccc1c23)C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing clavicipitic acid (CHEBI:23325) has parent hydride 1H-azepino[5,4,3-cd]indole (CHEBI:48268)
clavicipitic acid (CHEBI:23325) is a ergot alkaloid (CHEBI:23943)
Incoming (−)-cis-clavicipitic acid (CHEBI:48269) is a clavicipitic acid (CHEBI:23325)
(−)-trans-clavicipitic acid (CHEBI:48270) is a clavicipitic acid (CHEBI:23325)
IUPAC Name
6-(2-methylprop-1-en-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid
Registry Numbers Types Sources
4706032 Beilstein Registry Number Beilstein
554154 Beilstein Registry Number Beilstein
Last Modified
15 January 2008