(2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Other Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(8-hydroxy-7,8-dihydrobenzo[a]pyren-7-yl)oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: FDOKFDNZZDFSTR-QMIJOYDGSA-N
- InChI: InChI=1S/C30H29N3O8S/c31-21(30(39)40)9-11-24(35)33-22(29(38)32-13-25(36)37)14-42-41-28-20-12-17-5-4-15-2-1-3-16-6-7-19(27(17)26(15)16)18(20)8-10-23(28)34/h1-8,10,12,21-23,28,34H,9,11,13-14,31H2,(H,32,38)(H,33,35)(H,36,37)(H,39,40)/t21-,22-,23?,28?/m0/s1
- SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5OSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)C=C2
- Exact Mass: 591.16754
- Molecular Formula: C30H29N3O8S
-
Compound CID:
154699587
154699587
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.