CAS 90989-93-8|2-aminoethoxy(2,3-bis(acetyloxy)propoxy)phosphinic acid|L-α-CEPHALIN|(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid|PE 16:1/18:1|phosphatidylethanolamine (18:0/22:5)|...

基本信息

化学结构

分子式

C₉H₁₈NO₈P

分子量

299.214881

精确质量

299.07700317

电荷

InChI

InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)

InChIKey

CFWRDBDJAOHXSH-UHFFFAOYSA-N

Canonic Smiles

NCCOP(=O)(OCC(OC(=O)C)COC(=O)C)O

Isomeric Smiles

CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C

计算属性

JChem

LogD (pH = 7.4)

-2.51

LogD (pH = 5.5)

-2.51

Log P

-2.51

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

1.87

极化表面积

134.38

极化性

27.29

摩尔折射率

62.12

LOG S

-0.07

数据来源

名称和标识

IUPAC传统名

2-aminoethoxy(2,3-bis(acetyloxy)propoxy)phosphinic acid

IUPAC标准名

(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid

别名

L-α-CEPHALINPE(18:0/22:5)phosphatidylethanolamine (18:0/22:5)phosphatidylethanolamine 18:1/22:4PE 16:1/18:1phosphatidylethanolamine (18:0/22:6)phosphatidylethanolamine (16:1/18:1)PE(16:1/18:1)PE(18:0/20:2)phosphatidylethanolamine (18:0/20:2)PE 18:0/20:2phosphatidylethanolamine 18:0/22:6PE(18:1/22:4)phosphatidylethanolamine 16:1/20:4PE 16:1/20:4PE(18:0/22:6)PE(16:1/20:4)PE 18:1/22:4PE 18:0/22:6phosphatidylethanolamine 16:1/18:1PE 18:0/22:5phosphatidylethanolamine (18:1/22:4)phosphatidylethanolamine (16:1/20:4)phosphatidylethanolamine 18:0/20:2phosphatidylethanolamine 18:0/22:5phosphatidylethanolamine 38:0phosphatidylethanolamine 40:7phosphatidylethanolamine 36:0phosphatidylethanolamine 38:7PE 42:9phosphatidylethanolamine 40:9phosphatidylethanolamine 36:1phosphatidylethanolamine 38:6PE 40:9PE 40:7phosphatidylethanolamine 42:9PE 38:0PE 38:6phosphatidylethanolamine 33:2PE 38:7PE 36:0PE 36:1PE 33:2phosphatidylethanolamine 38:2phosphatidylethanolamine(38:2)PE(38:2)PE 38:2phosphatidylethanolamine 38:3PE(38:3)PE(18:2_20:1)PE(18:1_18:0)PE(36:2)PE-36:3PE(18:1_20:1)PE 18:2_20:1PE(18:0_20:3)PE 36:2PE 38:3PE(18:1_18:2)phosphatidylethanolamine 18:1_18:2phosphatidylethanolamine(18:0_20:3)PE 18:1_20:3PE(18:1_18:1)phosphatidylethanolamine(18:1_20:1)PE 18:0_20:3phosphatidylethanolamine 18:0_20:4PE 18:1_18:0PE 18:1_18:2phosphatidylethanolamine(18:1_18:2)PE 18:1_20:1phosphatidylethanolamine 18:1_20:1phosphatidylethanolamine(18:1_20:3)phosphatidylethanolamine(18:1_18:0)phosphatidylethanolamine 36:3PE-38:3phosphatidylethanolamine(18:1_18:1)PE(18:0_20:4)PE(18:1_20:3)phosphatidylethanolamine 18:1_20:3phosphatidylethanolamine 18:1_18:0phosphatidylethanolamine 36:2PE 36:3PE 18:1_18:1PE 18:0_20:4PE(36:3)phosphatidylethanolamine 18:1_18:1phosphatidylethanolamine 18:2_20:1phosphatidylethanolamine(18:2_20:1)phosphatidylethanolamine 18:0_20:3phosphatidylethanolamine(18:0_20:4)

名称和标识

数据登录号

CAS号

90989-93-8

PubChem CID

21668201

PubMed文献链接

27881988256763853017513330007793287543022700276324306727288070322985298519429885267076372976086927162539279070212254671327976698

MetaCyc数据库

Phosphatidylethanolamines-38-3Phosphatidylethanolamines-36-2Phosphatidylethanolamines-36-3

数据登录号

化合物性质

安全信息

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描述信息

MP Biomedicals

05215249

MP Biomedicals Rare Chemical collection

ChEBI

CHEBI:90466

A phosphatidylethanolamine in which one acyl group has 16 carbons and 1 double bond while the other has 20 carbons and 4 double bonds.

CHEBI:90464

A phosphatidylethanolamine in which one acyl group has 16 carbons and 1 double bond while the other has 18 carbons and 1 double bond.

CHEBI:90467

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.

CHEBI:90470

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 22 carbons and 6 double bonds.

CHEBI:90468

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 22 carbons and 5 double bonds.

CHEBI:90472

A phosphatidylethanolamine in which one acyl group has 18 carbons and 1 double bond while the other has 22 carbons and 4 double bonds.

CHEBI:134435

A phosphatidylethanolamine in which the two acyl groups contain a total of 36 carbons and no double bonds.

CHEBI:134443

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 7 double bonds.

CHEBI:134445

A phosphatidylethanolamine in which the two acyl groups contain a total of 42 carbons and 9 double bonds.

CHEBI:134428

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 6 double bonds.

CHEBI:134429

A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 7 double bonds.

CHEBI:134450

A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 9 double bonds.

CHEBI:134459

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and no double bonds.

CHEBI:134446

A phosphatidylethanolamine in which the two acyl groups contain a total of 33 carbons and 2 double bonds.

CHEBI:134451

A phosphatidylethanolamine in which the two acyl groups contain a total of 36 carbons and 1 double bond.

CHEBI:136382

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 2 double bonds.

CHEBI:141587

A phosphatidylethanolamine 36:1 in which one acyl group has 18 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified).

CHEBI:141590

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 38 carbons in total with 3 double bonds.

CHEBI:141595

A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and 2 double bonds while the other has 20 carbons and 1 double bond (position not specified).

CHEBI:141594

A phosphatidylethanolamine 38:2 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 1 double bond (position not specified).

CHEBI:141588

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 2 double bonds.

CHEBI:141591

A phosphatidylethanolamine 36:2 in which both acyl groups have 18 carbons and 1 double bond each (position not specified).

CHEBI:141589

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 3 double bonds.

CHEBI:141593

A phosphatidylethanolamine 36:3 in which one acyl group has 18 carbons and 1 double bond while the other has 18 carbons and 2 double bonds (position not specified).

CHEBI:141596

A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 3 double bonds (position not specified).

CHEBI:141597

A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).

CHEBI:141598

A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 3 double bonds (position not specified).

描述信息

参考文献

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生物活性

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生物活性

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