Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110084 |
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Identification |
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Name: |
2,3-bis[(3R)-3-hydroxymyristoyl]-α-D-glucosaminyl 1-phosphate |
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Description: | Dianion of lipid X arising from deprotonation of the phosphate OH groups; major species at pH 7.3. |
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Structure |
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Synonyms: | -
2,3-bis(3-hydroxytetradecanoyl)-α-D-glucosaminyl 1-phosphate
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2,3-bis(β-hydroxymyristoyl)-α-D-glucosaminyl 1-phosphate
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lipid X
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2,3-bis(3-hydroxymyristoyl)-α-D-glucosaminyl 1-phosphate
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Chemical Formula: |
C34H64NO12P
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Average Molecular Weight: |
709.85 |
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Monoisotopic Molecular
Weight: |
711.432263099 |
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InChI Key: |
HEHQDWUWJVPREQ-XQJZMFRCSA-L |
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InChI: |
InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/p-2/t26-,27-,28-,31-,32-,33-,34-/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-α-D-glucopyranose |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])CO)O)OC(CC(CCCCCCCCCCC)O)=O))=O)O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. |
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Kingdom |
Organic compounds |
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Super Class | Organic oxygen compounds |
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Class |
Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent |
Acylaminosugars |
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Alternative Parents |
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Substituents |
- Acylaminosugar
- Saccharolipid
- N-acyl-alpha-hexosamine
- Monosaccharide phosphate
- Beta-hydroxy acid
- Fatty acid ester
- Fatty amide
- Hydroxy acid
- Monosaccharide
- N-acyl-amine
- Organic phosphoric acid derivative
- Oxane
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Carboxylic acid ester
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxamide group
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxide
- Organonitrogen compound
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- Organopnictogen compound
- Carbonyl group
- Organic anion
- Aliphatic heteromonocyclic compound
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Molecular Framework |
Aliphatic heteromonocyclic compounds |
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External Descriptors |
- a small molecule (BISOHMYR-GLUCOSAMINYL-1P)
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Physical Properties |
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State: |
Not Available |
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Charge: | -2 |
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Melting point: |
Not Available |
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Experimental Properties: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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