35418-59-8
Product Name:
1-OCTADECANOYL-2-[(CIS,CIS,CIS,CIS)-5,8,11,14-EICOSATETRAENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:
C46H84NO8P
Synonyms:
L -α-Phosphatidylcholine, β-arachidonoyl-γ-stearoyl;L -β-Arachidonoyl-γ-stearoyl-α-lecithin;1-octadecanoyl-2-arachidonyl-sn-glycero-3-phosphocholine; SAPC; PC(18:0/20:4(5Z,8Z,11Z,14Z));3-sn-Phosphatidylcholine, 2-arachidonoyl-1-stearoyl;PC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 294.88 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 297.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 300.65 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids] |
| Chemical Classes | Lipids -> Ambiguous Lipids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H336:Specific target organ toxicity,single exposure; Narcotic effects H351:Carcinogenicity H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
COMPUTED DESCRIPTORS
| Molecular Weight | 810.1 g/mol |
|---|---|
| XLogP3 | 13.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 42 |
| Exact Mass | 809.59345564 g/mol |
| Monoisotopic Mass | 809.59345564 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1090 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 38:4 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It has a role as a mouse metabolite. It is a phosphatidylcholine 38:4 and a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine. It is functionally related to an octadecanoic acid.