Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:40:36 UTC
Update Date2022-08-31 06:17:28 UTC
Metabolite IDMMDBc0000993
Metabolite Identification
Common NameCyclo(D-Tyr-D-Pro)
DescriptionCyclo(D-Tyr-D-Pro) 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. Cyclo(D-Tyr-D-Pro) is a moderately basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC14H16N2O3
Average Mass260.293
Monoisotopic Mass260.116092383
IUPAC Name(3R,8aR)-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Traditional Name(3R,8aR)-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
CAS Registry NumberNot Available
SMILES
[H][C@]12CCCN1C(=O)[C@@]([H])(CC1=CC=C(O)C=C1)N=C2O
InChI Identifier
InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m1/s1
InChI KeyLSGOTAXPWMCUCK-VXGBXAGGSA-N