5-gs-2-ene vpa-coa
- Other Name: (2S)-2-amino-5-[[(2R)-3-[(E)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]hept-3-enyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: NQPUSCGKONBBST-OGVVDMLWSA-N
- InChI: InChI=1S/C39H63N10O23P3S2/c1-4-6-21(7-5-13-76-17-23(34(56)44-15-27(52)53)48-26(51)9-8-22(40)37(58)59)38(60)77-14-12-42-25(50)10-11-43-35(57)31(55)39(2,3)18-69-75(66,67)72-74(64,65)68-16-24-30(71-73(61,62)63)29(54)36(70-24)49-20-47-28-32(41)45-19-46-33(28)49/h7,19-20,22-24,29-31,36,54-55H,4-6,8-18,40H2,1-3H3,(H,42,50)(H,43,57)(H,44,56)(H,48,51)(H,52,53)(H,58,59)(H,64,65)(H,66,67)(H2,41,45,46)(H2,61,62,63)/b21-7+/t22-,23-,24+,29+,30+,31-,36+/m0/s1
- SMILES: CCC/C(=C\CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- Exact Mass: 1196.27218
- Molecular Formula: C39H63N10O23P3S2
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Compound CID:
122197273
122197273
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.