Met003854: Pyridinoline
Metabolite Information
Name
Pyridinoline
IUPAC Name
(2S,5R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate
Molecular Formula
C18H28N4O8
Molecular Weight
428.4
Exact Mass
428.1907139
SMILES
C1=C(C(=C(C=[N+]1CC(CCC(C(=O)[O-])N)O)O)CC(C(=O)O)N)CCC(C(=O)O)N
InChIKey
LCYXYLLJXMAEMT-SAXRGWBVSA-N
InChI
InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
avocado
bittermelon
broad_bean
chestnut
cowpea
lettuce
parsley
watermelon
bittermelon
broad_bean
chestnut
cowpea
lettuce
parsley
watermelon
Metabolite Spectrum Accession Label