pentalenolactone(1-) (Q27139093)

Gene Ontology release 2022-07-01

pentalenolactone catabolic process

subject has role

reactant

1 reference

Gene Ontology release 2022-07-01

pentalenolactone biosynthetic process

subject has role

product

1 reference

Gene Ontology release 2022-07-01

mass

275.091949±0 dalton

1 reference

pentalenolactone anion (English)

7 October 2016

chemical formula

C₁₅H₁₅O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)[O-]

1 reference

pentalenolactone anion (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)[O-]

1 reference

pentalenolactone anion (English)

InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/p-1/t8-,10-,11+,14-,15-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

pentalenolactone anion (English)

NUPNVWUYFVEAIT-UJJBCWTCSA-M

7 October 2016

InChIKey

2 references

pentalenolactone anion (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(2R,4a'S,7'S,7a'R,9a'R)-6',7'-Dimethyl-3'-oxo-1',7',7a',9a'-tetrahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylate (English)

7 October 2016

1 reference

pentalenolactone anion (English)

7 October 2016

ChEBI ID

70790

mapping relation type

1 reference