5-epi-valiolone 7-phosphate (Q27159629)

5-epi-Valiolone-7-phosphate (English)

2-epi-5-epi-valiolone 7-phosphate

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₁₃O₉P

1 reference

5-epi-Valiolone-7-phosphate (English)

9 October 2016

canonical SMILES

C1C(=O)C(C(C(C1(COP(=O)(O)O)O)O)O)O

1 reference

5-epi-Valiolone-7-phosphate (English)

9 October 2016

isomeric SMILES

C1C(=O)[C@@H]([C@H]([C@@H]([C@@]1(COP(=O)(O)O)O)O)O)O

1 reference

5-epi-Valiolone-7-phosphate (English)

InChI=1S/C7H13O9P/c8-3-1-7(12,2-16-17(13,14)15)6(11)5(10)4(3)9/h4-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-,7+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

5-epi-Valiolone-7-phosphate (English)

WBHJALJLPRKCBI-BNHYGAARSA-N

9 October 2016

InChIKey

2 references

5-epi-Valiolone-7-phosphate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(1R,2S,3S,4R)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyl dihydrogen phosphate (English)

9 October 2016

2 references

5-epi-Valiolone-7-phosphate (English)

matched by identifier from

9 October 2016

InChIKey

WBHJALJLPRKCBI-BNHYGAARSA-N

ChEBI ID

87447

mapping relation type

2 references

5-epi-valiolone 7-phosphate (English)