Lipid Unsaturation

Tally lipid-chain carbons and unsaturation sites.

Description

Lipid-chain totals summarize carbon and double-bond counts across supplied chains.

Lipid-chain totals summarize carbon and double-bond counts across supplied chains. Each double bond contributes two hydrogen-deficiency sites in this simple tally.^[1]

Tally lipid-chain carbons and unsaturation sites.

When to use Lipid Unsaturation

Use this tool to tally lipid-chain carbons and unsaturation sites.

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.

How to use Lipid Unsaturation and understand its results

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.
Enter lipidChainCarbonCounts, lipidChainDoubleBonds using the field table and calculation rules, then run the tool.
Read totalCarbons, totalDoubleBonds, totalHydrogenSitesLost. The explanation below defines the units, signs, ordering and any flags or placeholder values.
If the tool reports an input issue, correct the values and run it again. Apply the stated assumptions when interpreting a successfully returned result.

Input field	Meaning	Value type; see rules below	Requirement
lipidChainCarbonCounts	Lipid chain carbon counts	list of number	Required
lipidChainDoubleBonds	Lipid chain double bonds	list of number	Required

Enter nonempty aligned lists of nonnegative safe integers. Return totals and lost-hydrogen count.

totalC=ΣC_i; totalDoubleBonds=ΣDB_i; lostHydrogenSites=2ΣDB_i

Units, indexing, boundary conditions and exceptional cases are defined in the calculation rules above.

Output field	Meaning	Value type
totalCarbons	Total carbons	number
totalDoubleBonds	Total double bonds	number
totalHydrogenSitesLost	Total hydrogen sites lost	number

json

{
  "input": {
    "lipidChainCarbonCounts": [
      16,
      18
    ],
    "lipidChainDoubleBonds": [
      0,
      2
    ]
  },
  "output": {
    "totalCarbons": 34,
    "totalDoubleBonds": 2,
    "totalHydrogenSitesLost": 4
  }
}

Limitations and assumptions

Physical chain validity, double-bond positions, headgroup and complete lipid formula are not checked.

Numeric inputs must be finite. Follow the calculation-specific rules for overflow, underflow and exceptional cases. Lists are limited to 100,000 entries; the rules above may require smaller limits. Missing required fields, extra fields, wrong value types and violations of the calculation rules are input errors.

Alternative or Complementary methods

Use Double Bond Equivalent: Calculate molecular double-bond equivalents from C/H/N/halogen counts. For a complementary task, use Acetylcoa Coa Ratio: Calculate acetyl-CoA to free-CoA abundance ratio and acylated share.

References

Lipid Unsaturation — tool.io

Similar or alternative tools

Double Bond Equivalent
Calculate molecular double-bond equivalents from C/H/N/halogen counts.
Acetylcoa Coa Ratio
Calculate acetyl-CoA to free-CoA abundance ratio and acylated share.