input word = C00053344

Metabolite InformationStructural formula
Name Inositol 1,3,4,5,6-pentakisphosphate
Formula C6H17O21P5
Mw 579.89504006
CAS RN 20298-95-7
C_ID C00053344
InChIKey CTPQAXVNYGZUAJ-KXXVROSKSA-N
InChICode InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
SMILES O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma medicaginis Ref.
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