ATLPC0017661
ATLPC0017661
GSS(octanoyl)FLSPEHQKAQQRKESKKPPAKLQPR
- Length28 aa
- Monoisotopic mass3186.7 Da
- Net charge @ pH 7.45.10
- Isoelectric point11.34
- GRAVY-1.739
- Measurements13
- Endpoints1
- Domains1/5
- Products—
- No matrix stability evidence
- No clearance evidence
- No immunogenicity context
- No sequence liability cues
Open the matching evidence section below
Sequence & molecular identity
1 formsReviewed sequence, peptidoform forms, chemical representation, 3D references, and covalent topology used to interpret this peptide identity.
Sequence & peptidoform
A peptidoform is one specific molecular form of the peptide — its sequence plus the modifications at given positions (HUPO-PSI term). This view preserves the reported terminal groups, residue modifications, and stereo markers from the source notation.
Identity summarySpecific molecular form represented
- Identity status
- Specific molecular form represented
- Residues
- 28
- Peptidoform features
- 1
- Documented molecular forms
- 1
- Representations
- 2
Documented molecular forms1 form linked to this peptide identity
| Form | Topology | Modifications | Connections | Representations | Measurements | |
|---|---|---|---|---|---|---|
| ATLPF0019322 | — | — | — | Notation only | — |
Residue view
Soft tints mark standard side-chain classes for scanning. Primary emphasis is reserved for reported modifications, termini, secondary-structure tracks, and topology links.
Features are shown only when a reported notation or topology record supports them.
Inline modification octanoyl is reported on parent residue S3.
Reported sequence notation was converted to parent-residue display for visualization; the original notation remains shown below.
Structure & chemistry
Chemical representationsequence / HELM only
How the current release can interpret this identity chemically.
modified or textualResidue string used for positional interpretation when available.
GSSFLSPEHQKAQQRKESKKPPAKLQPRPolymer notation for modified peptide representation when available.
Not availableChemical graph string used for atom-level 2D depiction when available.
Not availableA reviewed SMILES is required before a 2D molecular depiction can be shown. Sequence and HELM remain useful for identity interpretation, but they do not replace a chemical graph.
3D structure referencesnone attached
A 3D structure isn't available for this peptide in the current release. Chemistry and topology fields remain available when represented by sequence, HELM, or SMILES.
Covalent topology & modificationsnone
No reviewed form-level topology or residue-level connection annotation is attached to this peptide in the current release. This is not evidence that every molecular form is linear or unmodified.
Physicochemical profile
Computed sequence-derived descriptors and any measured physicochemical evidence such as lipophilicity. Computed values are interpretation aids, not experimental ADMET measurements.
Core descriptors28 aa · pI 11.3 · GRAVY -1.74
- Length
- 28 aa
- Monoisotopic mass
- 3186.74 Da
- Average mass
- 3188.64 Da
- Net charge at pH 7.4
- 5.10
- Estimated pI
- 11.34
- GRAVY
- -1.739
- KD-positive residues
- 17.9%
- Aromatic residues
- 3.6%
Developability interpretation
- Ionization context
- pH 7.4 separated from pI
- Hydrophobicity balance
- Leans hydrophilic
- Amphipathic moment (μH)
- 0.42
- Computation boundary
- Standard-sequence only
Charge & residue composition
Modeled net charge across common formulation and assay pH checkpoints.
Grouped composition is often more interpretable than a long amino-acid list.
Hydropathy & amphipathic windows
Seven-residue sliding windows expose local patches hidden by whole-sequence GRAVY.
Top alpha-helix hydrophobic-moment windows across 12, 15, 18, and 21 residues.
Sequence-liability cues
Motifs are review prompts for formulation or CMC interpretation; they are not degradation predictions.
Alpha-helix amphipathic projection
The projection assumes an α-helix conformation; a long μH arrow indicates an amphipathic helix, common in antimicrobial peptides.
Method notes
Charge model: side-chain pKa D 3.9, E 4.1, C 8.5, Y 10.1, H 6.5, K 10.8, R 12.5 with EMBOSS termini. pI is estimated by binary search on modeled net charge. Hydropathy uses Kyte-Doolittle values; hydrophobic moment follows the Eisenberg alpha-helix vector-sum convention. When the basis is a parent-residue sequence, modified chemistry is intentionally not inferred.
Distribution / Barrier
13 recordsWhat is known about distribution, binding, permeability, or barrier crossing?
Evidence interpretation
Result type, analysis use, and source-check status are kept separate so a numerical value is not mistaken for a universally comparable result.
Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.
BBB penetration13 records · 4 matched-context · 9 as reported · 0 context only · 0 review required
| # | Value | Analysis use | Assay / model | Result context | Reference |
|---|---|---|---|---|---|
| 1 | 0.042 min^-1 | Eligible when experimental context matches | Efflux study (ICV) · blood-brain barrier | Result: Reported point value · Molecular form: not reported · kout · saturable · Source: Primary reference linked | Reference |
| 2 | 16.4 min | Eligible when experimental context matches | Efflux study (ICV) · blood-brain barrier | Result: Reported point value · Molecular form: not reported · t1/2, brain · saturable · Source: Primary reference linked | Reference |
| 3 | 1.85 x 10^-4 mL/g/min | Eligible when experimental context matches | Intravenous injection (multiple time regression) · blood-brain barrier | Result: Reported point value · Molecular form: not reported · Kin · Source: Primary reference linked | Reference |
| 4 | 0.002847 mL/g | Eligible when experimental context matches | Intravenous injection (multiple time regression) · blood-brain barrier | Result: Reported point value · Molecular form: not reported · Vi · Source: Primary reference linked | Reference |
| 5 | 0.01 %/g | Interpret as reported | HPLC · blood-brain barrier | Result: Reported point value · Molecular form: not reported · % injected dose · NA · Source: Primary reference linked | Reference |
| 6 | 0.005 %/g | Interpret as reported | HPLC · blood-brain barrier | Result: Reported point value · Molecular form: not reported · % injected dose · NA · Source: Primary reference linked | Reference |
| 7 | -1.24 | Interpret as reported | Not specified | Result: Reported point value · Molecular form: not reported · Source: Primary reference linked | Reference |
| 8 | 0.005 %/g | Interpret as reported | Not specified | Result: Reported point value · Molecular form: not reported · Source: Primary reference linked | Reference |
| 9 | 0.01 %/g | Interpret as reported | Not specified | Result: Reported point value · Molecular form: not reported · Source: Primary reference linked | Reference |
| 10 | 0.002847 mL/g | Interpret as reported | NA · NA · blood-brain barrier | Result: Reported point value · Molecular form: not reported · Route: Intravenous · Permeability · Source: Primary reference linked | Reference |
Barrier and permeability assay context
PAMPA, Caco-2, MDCK/RRCK, and BBB findings are assay/model contexts under Distribution / Barrier. They should not be read as interchangeable measurements.
artificial membrane
cell monolayer
cell monolayer
cell monolayer
barrier evidence
Evidence landscape
13 recordsCross-domain evidence distribution and measurement-level detail; the domain modules above show evidence in context, and every row remains available for audit here.
A cross-domain view of evidence volume, scientifically permitted analysis use, and source traceability.
Top evidence-bearing endpoint questions.
Broad context buckets, useful before comparing values.
Reference-link availability for measurement-level audit.
Every evidence record remains available for audit and drilldown. Counts describe evidence volume, not confidence.
| # | ADMET domain | Endpoint | Reported value | Result type | Analysis use | Assay / model | Condition | Reference |
|---|---|---|---|---|---|---|---|---|
| 1 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | -1.24 | Reported point value | Interpret as reported | Not specified | Not specified | Reference Primary reference linked |
| 2 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 0.005 %/g | Reported point value | Interpret as reported | Not specified | Not specified | Reference Primary reference linked |
| 3 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 16.4 min | Reported point value | Interpret as reported | NA · blood-brain barrier | Route: NA | Reference Primary reference linked |
| 4 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 0.003 mL/g | Reported point value | Interpret as reported | NA · blood-brain barrier | Route: Intravenous | Reference Primary reference linked |
| 5 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 1.85 x 10^-4 mL/g/min | Reported point value | Interpret as reported | NA · blood-brain barrier | Route: Intravenous | Reference Primary reference linked |
| 6 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 0.042 min^-1 | Reported point value | Interpret as reported | NA · blood-brain barrier | Route: NA | Reference Primary reference linked |
| 7 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 0.01 %/g | Reported point value | Interpret as reported | Not specified | Not specified | Reference Primary reference linked |
| 8 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 1.85 x 10^-4 mL/g/min | Reported point value | Eligible when experimental context matches | Intravenous injection (multiple time regression) · blood-brain barrier | Not specified | Reference Primary reference linked |
| 9 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 16.4 min | Reported point value | Eligible when experimental context matches | Efflux study (ICV) · blood-brain barrier | Not specified | Reference Primary reference linked |
| 10 | Distribution / Barrier Distribution | Blood Brain Barrier Penetration | 0.003 mL/g | Reported point value | Eligible when experimental context matches | Intravenous injection (multiple time regression) · blood-brain barrier | Not specified | Reference Primary reference linked |
Product context
Product-level route, label, and clinical context that frames peptide-level evidence. A peptide-level summary only; product pages keep the full drilldown.
This peptide is currently interpreted from sequence, structure, physicochemical, and ADMET evidence only.
Identity & reference map
13 sourcesReference-level support for checking reported names, sequence notation, and peptide identity agreement.
Summary2 reference groups
- Identity type
- reported modified sequence
- Reported notation
- 1
- Reference groups
- 2
- Measurements
- 13
- ATL peptide ID
- ATLPC0017661
Identity concordance
Reported sequence string matches the current peptide notation.
Reported notation differs, but resolves to the same parent-residue display.
Reported notation does not resolve to the current display sequence.
No source-specific sequence was captured for comparison; this is not interpreted as agreement or disagreement.
GSS(octanoyl)FLSPEHQKAQQRKESKKPPAKLQPR
GSS(octanoyl)FLSPEHQKAQQRKESKKPPAKLQPR
Reference map2 reference groups
Grouped by reference link, with endpoint scope and reported identity kept visible.
| Reference | Supports | Reported identity | Records |
|---|---|---|---|
Reference | Distribution Blood Brain Barrier Penetration | brainpeps_observation_v2_161_27_6_7dfdb1af5146313b8765, brainpeps_observation_v2_161_27_6_c218a51ee760c2e98788 GSS(octanoyl)FLSPEHQKAQQRKESKKPPAKLQPRexact | 9 identity 9 evidence |
Reference | Distribution Blood Brain Barrier Penetration | No reported alias | 4 identity 4 evidence |
Data access & reproducibility
Stable record access, analysis-ready files, and scripted retrieval for reproducing this profile view.
Record scopePublic release
- ATL peptide ID
- ATLPC0017661
- Identity type
- reported modified sequence
- ADMET endpoints
- 1
- Evidence records
- 13
- Reference groups
- 2
- Release view
- Public release
Data access
Structured peptide profile
JSONPeptide-specific profile used by this page, including identity and evidence context.
Peptide catalogue
TSVComplete frozen peptide table. Filter the ATL peptide ID column locally to isolate this record.
Measurement catalogue
TSVComplete frozen measurement table. Join or filter by ATL peptide ID for peptide-level analysis.
Programmatic access
The request returns the same structured peptide record used by this profile. The tabular downloads are complete frozen release tables and should be filtered locally by ATL peptide ID.
curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0017661' \
-H 'accept: application/json' \
-H 'X-Visibility: public_release'