|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB001706 |
|---|
|
Identification |
|---|
| Name: |
Acyl phosphatidylglycerol (N-C14:1) |
|---|
| Description: | Phosphatidylglycerol is a glycerophospholipid. The general structure of phosphatidylglycerol consists of a L-glycerol 3-phosphate backbone ester-bonded to either saturated or unsaturated fatty acids on carbons 1 and 2. The head group substituent glycerol is bonded through a phosphomonoester. Glycerophospholipids are important intermediates in cardiolipin synthesis. |
|---|
|
Structure |
|
|---|
| Synonyms: | Not Available |
|---|
|
Chemical Formula: |
C48H86O11P |
|---|
| Average Molecular Weight: |
870.1636 |
|---|
| Monoisotopic Molecular
Weight: |
869.590775106 |
|---|
| InChI Key: |
GKHYJHGQULCCBX-IKVQWSBMSA-M |
|---|
| InChI: | InChI=1S/C48H87O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,44-45,49H,4-18,25-43H2,1-3H3,(H,53,54)/p-1/b22-19+,23-20+,24-21+ |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | 3-({2,3-bis[(7E)-tetradec-7-enoyloxy]propyl phosphonato}oxy)-2-hydroxypropyl (7E)-tetradec-7-enoate |
|---|
|
Traditional IUPAC Name: |
3-({2,3-bis[(7E)-tetradec-7-enoyloxy]propyl phosphonato}oxy)-2-hydroxypropyl (7E)-tetradec-7-enoate |
|---|
| SMILES: | [H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCC\C([H])=C(/[H])CCCCCC |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of organic compounds known as semilysobisphosphatidic acids. These are bisphosphatidic acid analogues with three moles of fatty acid per mole of lipid. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
|
Class |
Glycerophospholipids |
|---|
| Sub Class | Semilysobisphosphatidic acids |
|---|
|
Direct Parent |
Semilysobisphosphatidic acids |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Semilysobisphosphatidic acid
- Tricarboxylic acid or derivatives
- Dialkyl phosphate
- Fatty acid ester
- Fatty acyl
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organic phosphate
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic anion
- Aliphatic acyclic compound
|
|---|
| Molecular Framework |
Aliphatic acyclic compounds |
|---|
| External Descriptors |
Not Available |
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | -1 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
|
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Membrane |
|---|
| Reactions: | |
|---|
|
Pathways: |
Not Available |
|---|
|
Spectra |
|---|
| Spectra: |
|
|---|
|
References |
|---|
| References: |
- Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
|
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
| Resource | Link |
|---|
| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | Not Available | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | CPD0-2196 | | EcoCyc ID | CPD0-2196 |
|
|---|
