(2s,3s,4s,5r)-6-[2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: XIXVMGWVZKBHGH-JNKBPBDDSA-N
- InChI: InChI=1S/C27H29N3O10/c1-3-15-5-4-6-16(11-15)30-25-17-12-19(37-8-7-36-2)20(13-18(17)28-14-29-25)38-9-10-39-27-23(33)21(31)22(32)24(40-27)26(34)35/h1,4-6,11-14,21-24,27,31-33H,7-10H2,2H3,(H,34,35)(H,28,29,30)/t21-,22-,23+,24-,27?/m0/s1
- SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 555.18529
- Molecular Formula: C27H29N3O10
-
Compound CID:
154700086
154700086
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.