Metabolite 1,2,3,4 Tetranor Latanoprost Acid

Name

1,2,3,4 Tetranor Latanoprost Acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

O732R24Q9W

CAS number

Not Available

Weight

Average: 336.428
Monoisotopic: 336.193674002

Chemical Formula

C₁₉H₂₈O₅

InChI Key

FCWSLXGOZUEVLK-TZNCUMHOSA-N

InChI

InChI=1S/C19H28O5/c20-14(7-6-13-4-2-1-3-5-13)8-9-15-16(10-11-19(23)24)18(22)12-17(15)21/h1-5,14-18,20-22H,6-12H2,(H,23,24)/t14-,15+,16+,17+,18-/m0/s1

IUPAC Name

3-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]propanoic acid

SMILES

[H][C@](O)(CCC1=CC=CC=C1)CC[C@@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])CCC(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0039000000-738ad4d7309b569448d9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0029000000-bfada61b60b89ad079c9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0w2a-0594000000-e78956826fc21acfaa8c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05g0-4094000000-1539a13b0448ed1d5b03
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-9650000000-a4afc16211b09683e6c7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-054o-5931000000-6ae21c29e21c83b39aa2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.71745	predicted	DeepCCS 1.0 (2019)
[M+H]+	171.11305	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.15593	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties