(3R,6R)-6-hydroxy-3-isopropenylheptanoate (Q27133136)

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

(3S,6R)-6-hydroxy-3-isopropenylheptanoate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(CC(=O)[O-])C(=C)C)O

1 reference

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

7 October 2016

isomeric SMILES

C[C@H](CC[C@H](CC(=O)[O-])C(=C)C)O

1 reference

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1/t8-,9-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

NQYDFAGFKCSWGI-RKDXNWHRSA-M

7 October 2016

InChIKey

2 references

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R,6R)-6-Hydroxy-3-isopropenylheptanoate (English)

7 October 2016

1 reference

(3R,6R)-6-hydroxy-3-isopropenylheptanoate (English)

7 October 2016

ChEBI ID

64225

mapping relation type

1 reference