UCSF

ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

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

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)