Metabolite 1,2 dinor latanoprost acid

Name

1,2 dinor latanoprost acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 362.466
Monoisotopic: 362.209324066

Chemical Formula

C₂₁H₃₀O₅

InChI Key

OFWJWONOOHEBFJ-PLNGDYQASA-N

InChI

InChI=1S/C21H30O5/c22-16(11-10-15-6-2-1-3-7-15)12-13-18-17(19(23)14-20(18)24)8-4-5-9-21(25)26/h1-7,16-20,22-24H,8-14H2,(H,25,26)/b5-4-

IUPAC Name

(3Z)-5-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]pent-3-enoic acid

SMILES

OC(CCC1C(O)CC(O)C1C\C=C/CC(O)=O)CCC1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0039000000-f6af764111a316a78989
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0009000000-79d6a279ae23a91f5e30
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0094000000-5de45b29d203882f52bb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004r-1193000000-f980647b332f86dc573f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0036-7962000000-5840a65d79434a1cbd3c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03fu-2930000000-fbd02750d4bb34563eac

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	182.0561	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.41411	predicted	DeepCCS 1.0 (2019)
[M+Na]+	191.73395	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties