UCSF

ZINC08217338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 20 No

Popular Name: Elaidic Acid Elaidic Acid

Find On: PubMed — Wikipedia — Google

CAS Number: 112-79-8

Other Names:

(9E)-octadecenoate; 9-trans-octadecenoate; Delta(9)-trans-octadecenoate; trans-9-octadecenoate; trans-Delta(9)-octadecenoate

(9E)-Octadecenoic acid; (9E)-octadec-9-enoic acid; (E)-Oleic acid; 9-Octadecenoic acid, (E)-; 9-octadecenoic acid; 9-octadecenoic acid, (9E)-; 9-trans-Octadecenoic acid; Acide elaidique; D9-trans-Octadecenoic acid; Elaidinsaure; OLA; bmse000643; elaidic a

(9E)-Octadecenoic acid; (E)-Oleic acid; 112-79-8; 9-Octadecenoic acid, (E)-; 9-trans-Octadecenoic acid; Acide elaidique; C01712; D9-trans-Octadecenoic acid; Elaidic acid; Elaidinsaure; trans-9-Octadecenoic acid; trans-D9-Octadecenoic acid; trans-Elaidic a

(E)-Oleic acid; 9-Octadecenoic acid, (E)-; AI3-15840; EINECS 204-006-6; ELAIDIC ACID; LS-63810; NSC 26988; trans-9-Octadecenoic acid; trans-Octadec-9-enoic acid; trans-Oleic acid; trans-delta(sup 9)-Octadecenoic acid

18:1, n-9; C18:1, n-9; Delta(9)-octadecenoic acid

9-elaidic acid

9-octadecenoic acid

9-Octadecenoic acid (9Z)-, reaction products with diethylenetriamine, cyclized, di-Et sulfate-quaternized; 9-Octadecenoic acid (9Z)-, reaction products with diethylenetriamine, cyclized, diethyl sulfate-quaternized; 9-Octadecenoic acid (Z)-, reaction prod

9-Octadecenoic acid (9Z)-, tin(2+) salt; 9-Octadecenoic acid (Z)-, tin(2+) salt; EINECS 217-625-1; LS-97765; NSC 65522; Oleic acid, tin(2+) salt; Stannous oleate; Tin dioleate

9E-octadecenoic acid

CHEBI:42209; CHEBI:23903; CHEBI:10546

elaidate

Elaidate;trans-9-Octadecenoic acid;trans-Oleic acid

Elaidic acid, 98%

Elaidinsaeure; trans-Delta(9)-octadecenoic acid

LS-181026; Oleic acid derived from tall oil fatty acids; Oleic acid, from tall oil fatty acids; Oleic acid, tall oil derived

MFCD00063954

octadec-9-enoic acid

Oleic Acid

trans-9-Octadecenoic acid

trans-9-octadecenoic acid; C18:1n-9

trans-Oleic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.58 13.48 -45.17 0 2 -1 40 281.46 15 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.21e-04 g/l DrugBank-experimental
Boiling_Point 288?/100mm Alfa-Aesar
Boiling_Point 288°/100mm Alfa-Aesar
Melting_Point 41-45? Alfa-Aesar
Melting_Point 41-45° Alfa-Aesar
Patent Database Links EP1676488; EP1731602; EP1905446; EP1974728; GB2260319; GB2321455; US2001006962; US2002045606; US2003153544; US2004063677; US2004122094; US2004131648; US2005249784; US2007184006; US2007197466; US2007231361; WO2007130882 ChEBI
Patent Database Links EP1815846; EP1829527; EP1829528 ChEBI
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_21408 ChEBI
Patent Database Links US2008176956; WO2007109801 ChEBI
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Free fatty acid receptors
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)

Analogs ( Draw Identity 99% 90% 80% 70% )