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Synonyms (9)
Vendors (2)
Annotations (9)
Representations (1)
Notes (2)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (0)

ZINC95617486

95617486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
January 16^th, 2014	0	Yes

Popular Name: Tetrahydrobiopterin Tetrahydrobiopterin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17528-72-2 , 69056-38-8

Other Names:

(1R,2S)-(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)-1,2-propandiol; 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-5,6,7,8-Tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone; 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4

(1R,2S)-(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)-1,2-propandiol;2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-5,6,7,8-Tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone;2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(1

(R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-onedihydrochloride

17528-72-2; 5,6,7,8-erythro-tetrahydrobiopterin; 5,6,7,8-tetra-H-biopterin; 5,6,7,8-tetrahydrobiopterin; phenylalanine hydroxylase cofactor; tetra-H-biopterin; tetra-hydro-biopterin; tetrahydrobiopterin

5,6,7,8-tetrahydrobiopterin

5,6,7,8-tetrahydrobiopterin; BH4

CHEBI:43063; CHEBI:15219; CHEBI:26902; CHEBI:9480; CHEBI:12074

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.15	-4.44	-11.69	7	8	0	136	241.251	2	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	ALKMO_DANRE; ALKMO_HUMAN; ALKMO_MOUSE; ALKMO_RAT; ALKMO_XENTR; CED9_CAEBR; CED9_CAEEL; DHPR_BOVIN; DHPR_DICDI; DHPR_HUMAN; DHPR_MOUSE; DHPR_PIG; DHPR_RAT; DYR_HUMAN; EGLN3_HUMAN; EGLN3_MOUSE; EGLN3_RAT; FKBP8_HUMAN; FKBP8_MOUSE; FKBP8_RAT; GCH1_CHICK; GCH	ChEBI
Reactome Database Links	REACT_111041; REACT_111060; REACT_111062; REACT_111093; REACT_111106; REACT_111125; REACT_111175; REACT_111191; REACT_111249; REACT_12415; REACT_12443; REACT_12463; REACT_12488; REACT_15352; REACT_15366; REACT_1925; REACT_2	ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Abnormal metabolism in phenylketonuria	Mus musculus Drosophila melanogaster Bos taurus Sus scrofa Canis familiaris Caenorhabditis elegans Danio rerio Homo sapiens Rattus norvegicus Taeniopygia guttata Gallus gallus Xenopus tropicalis Dictyostelium discoideum
Catecholamine biosynthesis	Mus musculus Dictyostelium discoideum Sus scrofa Caenorhabditis elegans Bos taurus Homo sapiens Drosophila melanogaster Gallus gallus Xenopus tropicalis Rattus norvegicus Taeniopygia guttata Danio rerio Canis familiaris
eNOS activation	Dictyostelium discoideum Rattus norvegicus Taeniopygia guttata Sus scrofa Danio rerio Homo sapiens Bos taurus Xenopus tropicalis Mus musculus Drosophila melanogaster Plasmodium falciparum Saccharomyces cerevisiae Caenorhabditis elegans Gallus gallus Canis familiaris Schizosaccharomyces pombe
NOSIP mediated eNOS trafficking	Canis familiaris Bos taurus Mus musculus Homo sapiens Dictyostelium discoideum Sus scrofa Rattus norvegicus Xenopus tropicalis Drosophila melanogaster
NOSTRIN mediated eNOS trafficking	Rattus norvegicus Xenopus tropicalis Gallus gallus Sus scrofa Canis familiaris Homo sapiens Mus musculus Bos taurus Drosophila melanogaster Danio rerio
Phenylalanine and tyrosine catabolism	Rattus norvegicus Caenorhabditis elegans Danio rerio Gallus gallus Sus scrofa Drosophila melanogaster Mus musculus Xenopus tropicalis Dictyostelium discoideum Taeniopygia guttata Canis familiaris Homo sapiens Bos taurus
Serotonin and melatonin biosynthesis	Danio rerio Xenopus tropicalis Dictyostelium discoideum Homo sapiens Gallus gallus Bos taurus Taeniopygia guttata Caenorhabditis elegans Canis familiaris Rattus norvegicus Drosophila melanogaster Mus musculus Sus scrofa
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation	Oryza sativa Dictyostelium discoideum Xenopus tropicalis Taeniopygia guttata Sus scrofa Arabidopsis thaliana Caenorhabditis elegans Bos taurus Saccharomyces cerevisiae Canis familiaris Rattus norvegicus Danio rerio Drosophila melanogaster Schizosaccharomyces pombe Gallus gallus Plasmodium falciparum Mus musculus Homo sapiens
VEGFR2 mediated vascular permeability	Sus scrofa Taeniopygia guttata Dictyostelium discoideum Saccharomyces cerevisiae Bos taurus Mus musculus Gallus gallus Homo sapiens Plasmodium falciparum Schizosaccharomyces pombe Xenopus tropicalis Rattus norvegicus Drosophila melanogaster Caenorhabditis elegans Canis familiaris Danio rerio

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.

Synonyms (9)
Vendors (2)
Annotations (9)
Representations (1)
Notes (2)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (0)