(Q27137091)

Pentalenic acid (English)

7 October 2016

chemical formula

C₁₅H₂₂O₃

1 reference

Pentalenic acid (English)

7 October 2016

canonical SMILES

CC1CCC2C13CC(C(C3C=C2C(=O)O)O)(C)C

1 reference

Pentalenic acid (English)

7 October 2016

isomeric SMILES

C[C@@H]1CC[C@@H]2[C@]13CC([C@@H]([C@H]3C=C2C(=O)O)O)(C)C

1 reference

Studies on the biosynthesis of pentalenolactone, part II isolation of pentalehic acid and pentalenolactone H

Pentalenic acid (English)

7 October 2016

1 reference

Streptomyces avermitilis

1 reference

stated in

Genome mining in Streptomyces avermitilis: A biochemical Baeyer-Villiger reaction and discovery of a new branch of the pentalenolactone family tree

Identifiers

InChI

InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15+/m1/s1

1 reference

Pentalenic acid (English)

WBLTVUMJMJIOGQ-YCGCYHNXSA-N

7 October 2016

InChIKey

2 references

Pentalenic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,3aR,5aS,6R,8aS)-6-Hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid (English)

7 October 2016

2 references

Pentalenic acid (English)

matched by identifier from

7 October 2016

InChIKey

WBLTVUMJMJIOGQ-YCGCYHNXSA-N

Reaxys registry number

5340920

1 reference

pentalenic acid (English)

7 October 2016

ChEBI ID

68665

mapping relation type

2 references

pentalenic acid (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15+/m1/s1

1 reference

Natural Product Atlas ID

NPA031297

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WBLTVUMJMJIOGQ-YCGCYHNXSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download