Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:27:31 UTC
Update Date2022-08-31 06:43:39 UTC
Metabolite IDMMDBc0018224
Metabolite Identification
Common NameBrevianamide Q
DescriptionBrevianamide Q belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Brevianamide Q is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC21H23N3O3
Average Mass365.433
Monoisotopic Mass365.173941613
IUPAC Name(3Z)-1,8a-dihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Traditional Name(3Z)-1,8a-dihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-6H,7H,8H-pyrrolo[1,2-a]pyrazin-4-one
CAS Registry NumberNot Available
SMILES
[H]\C(C1=C(NC2=CC=CC=C12)C(C)(C)C=C)=C1\N=C(O)C2(O)CCCN2C1=O
InChI Identifier
InChI=1S/C21H23N3O3/c1-4-20(2,3)17-14(13-8-5-6-9-15(13)22-17)12-16-18(25)24-11-7-10-21(24,27)19(26)23-16/h4-6,8-9,12,22,27H,1,7,10-11H2,2-3H3,(H,23,26)/b16-12-
InChI KeyZYCIAQNYHXTHMV-VBKFSLOCSA-N