Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110018 |
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Identification |
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Name: |
streptomycin 3''-phosphate |
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Description: | Conjugate acid of streptomycin 3''-phosphate. |
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Structure |
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Synonyms: | Not Available |
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Chemical Formula: |
C21H41N7O15P
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Average Molecular Weight: |
662.57 |
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Monoisotopic Molecular
Weight: |
664.2554752582 |
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InChI Key: |
BFUAJTIVTIKBSB-GOUKQLAUSA-O |
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InChI: |
InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,21+/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | [2-deoxy-2-(methylazaniumyl)-3-O-phosphonato-α-L-glucopyranosyl]-(1→2)-[5-deoxy-3-C-formyl-α-L-lyxofuranosyl]-(1→4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidinium} |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC1(OC(C(C1(C=O)O)OC2(C(C(C(C(O2)CO)O)OP(=O)([O-])[O-])[N+]C))OC3(C(C(C(C(C3O)O)NC(N)=[N+])O)NC(N)=[N+])) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as streptamine aminoglycosides. These are aminoglycosides containing the aminocyclitol the streptamine (1,3-diaminocyclohexane-2,4,5,6-tetrol) core. |
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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 |
Streptamine aminoglycosides |
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Alternative Parents |
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Substituents |
- Streptamine aminoglycoside
- Glycosyl compound
- O-glycosyl compound
- Cyclohexanol
- Cyclitol or derivatives
- Monosaccharide
- Organic phosphoric acid derivative
- Oxane
- Alkyl phosphate
- Phosphoric acid ester
- Cyclic alcohol
- Tetrahydrofuran
- Tertiary alcohol
- Secondary alcohol
- Polyol
- Organoheterocyclic compound
- Acetal
- Oxacycle
- Alcohol
- Organic oxide
- Organonitrogen compound
- Organopnictogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Primary alcohol
- Aldehyde
- Organic cation
- Aliphatic heteromonocyclic compound
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Molecular Framework |
Aliphatic heteromonocyclic compounds |
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External Descriptors |
- a small molecule (CPD-512)
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Physical Properties |
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State: |
Not Available |
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Charge: | +1 |
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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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