input word = C00007446

Metabolite InformationStructural formula
Name 3'-phosphoadenosine 5'-phosphosulfate
PAPS
Formula C10H15N5O13P2S
Mw 506.98622932
CAS RN 482-67-7
C_ID C00007446 ,
InChIKey GACDQMDRPRGCTN-CDACIVGJNA-N
InChICode InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10+/m0/s1
SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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