Stearidonic acid

Details

• Internal ID: ccc272cf-1c41-4dee-ac02-aedf0b1753ec
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
• IUPAC Name: (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
• SMILES (Canonical): CCC=CCC=CCC=CCC=CCCCCC(=O)O
• SMILES (Isomeric): CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
• InChI: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
• InChI Key: JIWBIWFOSCKQMA-LTKCOYKYSA-N
• Popularity: 790 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₈O₂
• Molecular Weight: 276.40 g/mol
• Exact Mass: 276.208930132 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.20

Synonyms

• 20290-75-9
• Moroctic acid
• (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
• 6,9,12,15-Octadecatetraenoic acid, (6Z,9Z,12Z,15Z)-
• (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid
• 6,9,12,15-Octadecatetraenoic acid
• 6Z,9Z,12Z,15Z-octadecatetraenoic acid
• P4CEK3495O
• 111174-40-4
• CHEBI:32389
• FA 18:4
• C18:4n-3,6,9,12
• all-cis-octadeca-6,9,12,15-tetraenoic acid
• UNII-P4CEK3495O
• Morotic acid
• 6cis Stearidonic acid
• stearidonic acid C18:4
• all-cis-6,9,12,15-Octadecatetraenoic acid
• Stearidonic acid, >=99%
• SCHEMBL29226
• STEARIDONIC ACID [MI]
• CHEMBL484430
• 6,9,12,15-octadecatetraenoate
• DTXSID20920493
• STEARIDONIC ACID [WHO-DD]
• HMS3649J17
• LMFA01030357
• MOROCTIC ACID (C18:4 N3)
• AKOS040735398
• NCGC00344331-01
• AS-80602
• 6Z, 9Z, 12Z, 15Z- octadecatetraenoic acid
• FA(18:4(6Z,9Z,12Z,15Z))
• SR-01000946667
• .DELTA.6,9,12,15-OCTADECATETRAENOIC ACID
• 6(Z),9(Z),12(Z),15(Z)-Octadecatetraenoic acid
• Q2739877
• SR-01000946667-1

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	96.41%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.54%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.49%	98.95%
CHEMBL1781	P11387	DNA topoisomerase I	89.84%	97.00%
CHEMBL221	P23219	Cyclooxygenase-1	87.08%	90.17%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	83.97%	90.75%

Plants that contains it

• Borago officinalis
• Echium plantagineum
• Erythrina fusca
• Erythrina sigmoidea
• Erythrina variegata
• Hedlundia hybrida
• Oenothera biennis
• Primula pulverulenta
• Ribes nigrum

Cross-Links

• PubChem: 5312508
• LOTUS: LTS0139606
• wikiData: Q105266037