(Q27108678)

CHEBI:10979 (English)

5 October 2016

chemical formula

C₈H₁₃O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

CHEBI:10979 (English)

5 October 2016

isomeric SMILES

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

1 reference

CHEBI:10979 (English)

InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/p-1/t5-,6-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

CHEBI:10979 (English)

RILHUWWTCSDPAN-PHDIDXHHSA-M

5 October 2016

InChIKey

2 references

CHEBI:10979 (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R)-3-{[(3R)-3-Hydroxybutanoyl]oxy}butanoate (English)

5 October 2016

1 reference

CHEBI:10979 (English)

5 October 2016

ChEBI ID

10979

mapping relation type

1 reference

(R)-3-[(R)-3-hydroxybutanoyloxy]butanoate (English)

5 October 2016

1 reference

1 reference

(R)-3-[(R)-3-hydroxybutanoyloxy]butanoate (English)