Met006055: Dysinosin A
Metabolite Information
Name
Dysinosin A
IUPAC Name
[(2R)-3-[[(2R)-1-[(2S,3aR,5S,6S,7aS)-2-[2-[1-(diaminomethylidene)-2,5-dihydropyrrol-1-ium-3-yl]ethylcarbamoyl]-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-methoxy-3-oxopropyl] sulfate
Molecular Formula
C26H44N6O10S
Molecular Weight
632.7
Exact Mass
632.2839628
SMILES
CC(C)CC(C(=O)N1C2CC(C(CC2CC1C(=O)NCCC3=CC[N+](=C(N)N)C3)O)O)NC(=O)C(COS(=O)(=O)[O-])OC
InChIKey
FJKGWCOVORXKMM-FAWMDMTCSA-N
InChI
InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/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
blueberry
pea
spinach
pea
spinach
Metabolite Spectrum Accession Label