Compound Identification
SMILES
CC(CN[O]1C(=O)C=CC1(Cl)CC(O)=[O]N[Cl]CCON[Cl]CC=[O]NOC(=O)C(=CC=CC(O)=[O]NOP(O)(=O)OCC(O)C(O)(CO)CNOC(=O)C(NNOC(=O)C(NNOC(=O)C(NNOC1N(O)C2N=C(N)NC(=O)C2N=C1C(=O)C(=O)CNON1C(O)C(O)(C(O)C(O)CO)N(O)C2C1N=C(NNOC(=O)C(C=CC=O)=C(NNOC(=O)C(C)(O)C(C)=O)C(O)=O)NC2=O)=CC=CC(O)=O)C=O)=CC=CC=O)C(O)=O)C(C(O)C(=O)ON[O]=C(O)C(=O)CC(O)C(O)CONCC(C)(CO)C(=O)C(=O)ONCC1(C)COC(=O)C1=[O]NOCC1OC(O)CC(O)C1ONCSCCC(=O)C(O)=COP(O)(=O)ON[O]=C(O)CCC(=O)C=CC=C(O)C(=O)ON[O]=C(O)CCC(O)C(O)=O)C(O)=O
InChIKey
InChIKey=LNKMASKOQDDQOW-UHFFFAOYSA-N
Formula
C118H166Cl3N33O91P2S
Mass
3703.12
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Biopterins and derivatives
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biopterins and derivatives
Alternative Parents
Gamma amino acids and derivatives Alpha amino acids and derivatives Gamma-keto acids and derivatives Monoalkyl phosphates Beta-keto acids and derivatives Beta hydroxy acids and derivatives Piperazines Oxanes Monosaccharides Hydropyrimidines Gamma butyrolactones Butenolides Beta-hydroxy ketones Alpha-keto acids and derivatives Alpha-diketones Alpha-branched alpha,beta-unsaturated ketones Alpha hydroxy acids and derivatives Acyloins 1,3-dicarbonyl compounds Vinylogous amides Tetrahydrofurans Tertiary alcohols Enones Enals Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Ketimines Hemiacetals Guanidines Carboxylic acid salts Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds N-organohydroxylamines Enols Dialkylthioethers Carboxylic acids Carboximidic acids Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Biopterin - Gamma amino acid or derivatives - Alpha-amino acid or derivatives - Gamma-keto acid - Monoalkyl phosphate - Beta-keto acid - Beta-hydroxy acid - Alpha-branched alpha,beta-unsaturated-ketone - Alkyl phosphate - 1,3-dicarbonyl compound - Piperazine - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - Monosaccharide - Keto acid - Hydroxy acid - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Gamma butyrolactone - 3-furanone - 1,4-diazinane - 2-furanone - Beta-hydroxy ketone - Alpha-diketone - Alpha-keto acid - Alpha-hydroxy acid - Acyloin - Vinylogous amide - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Tertiary alcohol - Enone - Enal - Dihydrofuran - Alpha-hydroxy ketone - Alpha,beta-unsaturated aldehyde - Acryloyl-group - Secondary alcohol - Lactone - Ketone - Ketimine - Hemiacetal - Guanidine - Carboxylic acid salt - Carboxylic acid ester - Oxacycle - Azacycle - N-organohydroxylamine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Enol - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Carbonyl group - Alkyl halide - Alkyl chloride - Aldehyde - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.
External Descriptors
Not available