基本情報
- CAS
40290-44-6- 標準SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O- InChIKey
OIWCYIUQAVBPGV-DAQGAKHBSA-N- 分子式
- C40H76NO10P
- 平均分子量
- 762 g/mol
- 単同位体質量
- 761.52068462
概要
{1-O-hexadecanoyl-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho}serine is a 3-sn-phosphatidyl-L-serine compound with a palmitoyl group at the 1-position and an oleoyl group at the 2-position. It is functionally related to a glycerol. It is a conjugate acid of a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserine(1-).
名称と識別子
- 優先名称
- PS(16:0/18:1(9Z))
- IUPAC
- (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
名称と別名
POPSPS(16:0/18:1(9Z))RefChem:1097078(2S)-2-amino-3-((((2R)-3-(hexadecanoyloxy)-2-((9Z)-octadec-9-enoyloxy)propoxy)(hydroxy)phosphoryl)oxy)propanoic acid40290-44-61-Palmitoyl-2-oleoylphosphatidylserine1-palmitoyl-2-oleoylglycero-3-phosphoserine1-Palmitoyl-2-oleoyl-glycero-3-phosphoserine1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineCHEBI:340861-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserinePS(16:0/18:1)
名称をさらに表示
{1-O-hexadecanoyl-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho}serine1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-l-serinePalmitoyloleoyl-gpsO-{[(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propoxy](hydroxy)phosphoryl}-L-serinePOPS lipidL-Serine, 3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate (ester), (R-(Z))-L-Serine, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecenyl)oxy]propyl hydrogen phosphate (ester), [R-(Z)]-Epitope ID:738082
データベース識別子
- CAS
40290-44-6- PubChem CID
- 5283499
- DTXSID
DTXSID201229500- ChEBI
物性
構造計算による物性
- XLogP
- 10
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 11
- 回転可能結合数
- 41
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 947
実験および物理化学的性質
Lipids
Lipids -> Ambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoserines [GP03] -> Diacylglycerophosphoserines [GP0301]
Physical DescriptionSolid
Collision Cross Section
273.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Brain (phosphatidylserine extract); Dataset: Ambiguous Lipids]
270.97 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
278.8 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
化学と産業
薬理情報
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/18:1(9Z))
関連反応
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化合物ノート
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