(1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
- Other Name: (1S,4S,5S,6R)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5H-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
- InChIKey: GQGGVFUQUGQLOH-XVALDCFZSA-O
- InChI: InChI=1S/C32H38N6O7/c1-2-3-10-22-33-32(15-6-7-16-32)31(45)37(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)29-34-36-38(35-29)24-25(39)23(30(43)44)26(40)28(42)27(24)41/h4-5,8-9,11-14,23-29,39-42H,2-3,6-7,10,15-17H2,1H3/p+1/t23-,24?,25?,26+,27-,28-,29?/m0/s1
- SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5N=N[N+](=N5)C6[C@@H]([C@H]([C@@H]([C@H](C6O)C(=O)O)O)O)O
- Exact Mass: 619.28802
- Molecular Formula: C32H39N6O7+
-
Compound CID:
154699620
154699620
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.