| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-17 19:16:22 UTC |
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| Updated at | 2020-11-18 16:39:28 UTC |
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| CannabisDB ID | CDB005170 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Cyclic pyranopterin monophosphate |
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| Description | Cyclic pyranopterin monophosphate, also known as CPMP or precursor Z, hydrated, belongs to the class of organic compounds known as pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety. Cyclic pyranopterin monophosphate (cPMP) is an experimental treatment for molybdenum cofactor deficiency type A, which was developed by José Santamaría-Araujo and Guenter Schwarz at the German universities TU Braunschweig and the University of Cologne.cPMP is a precursor to molybdenum cofactor, which is required for the enzyme activity of sulfite oxidase, xanthine dehydrogenase/oxidase and aldehyde oxidase. Cyclic pyranopterin monophosphate is an extremely strong basic compound (based on its pKa). Cyclic pyranopterin monophosphate exists in all living organisms, ranging from bacteria to humans. Outside of the human body, cyclic pyranopterin monophosphate has been detected, but not quantified in, several different foods, such as cowpea, agaves, carobs, oriental wheats, and apricots. This could make cyclic pyranopterin monophosphate a potential biomarker for the consumption of these foods. Cyclic pyranopterin monophosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| CPMP | ChEBI | | Cyclic pyranopterin monophoshate | ChEBI | | Precursor Z, hydrated | ChEBI | | Cyclic pyranopterin phosphate | Kegg | | Cyclic pyranopterin monophoshic acid | Generator | | Cyclic pyranopterin phosphoric acid | Generator | | Cyclic pyranopterin monophosphoric acid | Generator | | CPMP CPD | MeSH, HMDB |
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| Chemical Formula | C10H14N5O8P |
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| Average Molecular Weight | 363.22 |
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| Monoisotopic Molecular Weight | 363.058 |
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| IUPAC Name | (4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,8,11,11a,12,12a-decahydro-2H-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one |
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| Traditional Name | (4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,11,11a,12a-octahydro-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one |
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| CAS Registry Number | 150829-29-1 |
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| SMILES | [H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(=N)N=C3O)N[C@]1([H])O2 |
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| InChI Identifier | InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1 |
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| InChI Key | CZAKJJUNKNPTTO-AJFJRRQVSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pteridines and derivatives |
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| Sub Class | Pterins and derivatives |
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| Direct Parent | Pyranopterins and derivatives |
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| Alternative Parents | |
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| Substituents | - Pyranopterin
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Monosaccharide
- Organic phosphoric acid derivative
- Oxane
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- Carbonyl hydrate
- Polyol
- Oxacycle
- Azacycle
- Secondary amine
- Organic nitrogen compound
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary amine
- Hydrocarbon derivative
- Amine
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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Not Available | | Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Cyclic pyranopterin monophosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03yi-0954000000-c0c03f7b7051e69aa940 | Spectrum | | Predicted GC-MS | Cyclic pyranopterin monophosphate, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0h50-7792680000-b9bc8825f210f215306e | Spectrum | | Predicted GC-MS | Cyclic pyranopterin monophosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Cyclic pyranopterin monophosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0009000000-409073732cecfccd1306 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01qa-1069000000-41d8aad4b65debf6b22f | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0560-5970000000-c418a7d872c8d58d4e1f | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-1749000000-d08212ceb7e994db0f40 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0900000000-3b25595e096bedd044e0 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0059-9200000000-90cd7a3b87256a3d7e40 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0009000000-0a09be49d6be31174b51 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-9546000000-0c075e6e07d269d52a15 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fb9-7913000000-28a74b00aeba67eb0c5a | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0009000000-06a4f7b91a99ab66773a | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0019000000-c17d8fe2f9f9b3e52c16 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-1910000000-91b6cb0fac8b32075acd | 2021-09-22 | View Spectrum |
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