| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-17 19:22:05 UTC |
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| Updated at | 2020-11-18 16:39:34 UTC |
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| CannabisDB ID | CDB005227 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Thio-molybdenum cofactor |
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| Description | Thio-molybdenum cofactor 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. Thio-molybdenum cofactor is an extremely strong basic compound (based on its pKa). Thio-molybdenum cofactor 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 | Not Available |
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| Chemical Formula | C10H18MoN5O7PS3 |
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| Average Molecular Weight | 543.39 |
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| Monoisotopic Molecular Weight | 544.916 |
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| IUPAC Name | molybdenum(2+) ion ({4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)phosphonic acid hydrate sulfane |
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| Traditional Name | molybdenum(2+) ion molybdopterin cofactor hydrate sulfane |
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| CAS Registry Number | Not Available |
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| SMILES | O.S.[Mo++].OC1=NC(=N)NC2=C1NC1C(N2)OC(COP(O)(O)=O)C(S)=C1S |
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| InChI Identifier | InChI=1S/C10H14N5O6PS2.Mo.H2O.H2S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2/q;+2;; |
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| InChI Key | DGWROKACVVSIEY-UHFFFAOYSA-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
- Secondary aliphatic/aromatic amine
- Monoalkyl phosphate
- Hydroxypyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyran
- Pyrimidine
- Alkyl phosphate
- Heteroaromatic compound
- Organic transition metal salt
- Oxacycle
- Azacycle
- Alkylthiol
- Secondary amine
- Thioenol
- Organic oxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Amine
- Organosulfur compound
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic salt
- Organic cation
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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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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