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 (22)
Vendors (29)
Annotations (23)
Representations (2)
Notes (5)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (0)

ZINC00895703

895703

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
October 4^th, 2005	8	No

Popular Name: DL-Homocysteine DL-Homocysteine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18265-50-4 , 454-29-5 , 6027-13-0 , 6027-14-1 , [454-29-5] , [6027-14-1]

Other Names:

(+-)-Homocysteine; (2S)-2-amino-4-sulfanylbutanoic acid; 2-Amino-4-Mercapto-Butyric Acid; 2-Amino-4-mercaptobutyric acid; 2-amino-4-sulfanylbutanoic acid; Butyric acid, 2-amino-4-mercapto-, DL-; Butyric acid, 2-amino-4-mercapto-, DL- (9CI); D,L-Homocystei

(+-)-homocysteine; (S)-2-amino-4-mercapto-Butanoate; (S)-2-amino-4-mercapto-Butanoic acid; 2-amino-4-mercapto-Butanoate; 2-amino-4-mercapto-Butanoic acid; 2-amino-4-mercapto-Butyric acid; 2-amino-4-mercapto-DL-Butyrate; 2-amino-4-mercapto-DL-Butyric acid

(+-)-Homocysteine; BRN 5493225; Butyric acid, 2-amino-4-mercapto-, DL-; D,L-Homocysteine; DL-2-Amino-4-mercaptobutyric acid; DL-Homocysteine; EINECS 207-222-9; LS-75890; NSC 206252; USAF B-12

(+-)-homocysteine;(S)-2-amino-4-mercapto-Butanoate;(S)-2-amino-4-mercapto-Butanoic acid;2-Amino-4-mercapto-Butanoate;2-Amino-4-mercapto-Butanoic acid;2-Amino-4-mercapto-Butyric acid;2-Amino-4-mercapto-DL-Butyrate;2-Amino-4-mercapto-DL-Butyric acid;2-Amino

(R)-2-Amino-4-mercaptobutanoic acid

2-Amino-4-mercaptobutanoic acid

2-Amino-4-mercaptobutyric acid; 454-29-5; C05330; Homocysteine

2-amino-4-sulfanylbutanoic acid

2-amino-4-sulfanylbutanoic acid hydrochloride

2-ammonio-4-sulfanylbutanoate; homocysteine

CHEBI:5751; CHEBI:14408

CPD-8826; D-homocysteine

homocysteine zwitterion

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)	-2.44	-3.1	-45.35	3	3	0	67	135.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.44	-4.05	-74.82	3	3	-1	67	134.18	3	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; 4OMT_COPJA; 6OMT_COPJA; 7OMT6_MEDSA; 7OMT8_MEDSA; 7OMT9_MEDSA; A41_LEIDO; AAMT1_MAIZE; AAMT2_MAIZE; AAMT3_MAIZE; AB140_YEAST; AIMT1_PIMAN; ALKB8_BOVIN; ALKB8_HUMAN; ALKB8_MACFA; ALKB8_MOUSE; ALKB8_XENTR; ANM10_ARA	ChEBI
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	>90%	Fluorochem
Patent Database Links	EP0966965; EP1113008; EP1172432; EP1214933; EP1422218; EP1500386; EP1510524; EP1574521; EP1630164; EP1839660; EP1842542; EP1852440; EP1886683; EP1897888; EP1913959; EP1964838; EP1970053; EP1972615; US2002016322; US2002061879; US2002143007; US2003013772; U	ChEBI
Reactome Database Links	REACT_115861; REACT_115874; REACT_115918; REACT_116033; REACT_15553; REACT_6739; REACT_6756	ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Cobalamin (Cbl, vitamin B12) transport and metabolism	Mus musculus Caenorhabditis elegans Dictyostelium discoideum Bos taurus Sus scrofa Danio rerio Gallus gallus Canis familiaris Taeniopygia guttata Homo sapiens Xenopus tropicalis Rattus norvegicus
Cysteine formation from homocysteine	Taeniopygia guttata Gallus gallus Canis familiaris Rattus norvegicus Danio rerio Homo sapiens Arabidopsis thaliana Oryza sativa Schizosaccharomyces pombe Xenopus tropicalis Mus musculus Dictyostelium discoideum Bos taurus Drosophila melanogaster Caenorhabditis elegans Saccharomyces cerevisiae
Defective MTR causes methylmalonic aciduria and homocystinuria type cblG	Caenorhabditis elegans Dictyostelium discoideum Gallus gallus Canis familiaris Xenopus tropicalis Sus scrofa Mus musculus Bos taurus Homo sapiens Taeniopygia guttata Rattus norvegicus Danio rerio
Degradation of cysteine and homocysteine	Sus scrofa Danio rerio Saccharomyces cerevisiae Dictyostelium discoideum Mus musculus Schizosaccharomyces pombe Caenorhabditis elegans Taeniopygia guttata Drosophila melanogaster Gallus gallus Arabidopsis thaliana Oryza sativa Rattus norvegicus Homo sapiens Xenopus tropicalis Canis familiaris Bos taurus
Enzymatic degradation of Dopamine by monoamine oxidase	Taeniopygia guttata Homo sapiens Mus musculus Canis familiaris Gallus gallus Rattus norvegicus Danio rerio Bos taurus Xenopus tropicalis Schizosaccharomyces pombe Sus scrofa
Methylation	Schizosaccharomyces pombe Sus scrofa Danio rerio Mus musculus Homo sapiens Oryza sativa Bos taurus Xenopus tropicalis Canis familiaris Arabidopsis thaliana Taeniopygia guttata Dictyostelium discoideum Plasmodium falciparum Rattus norvegicus Gallus gallus Saccharomyces cerevisiae Drosophila melanogaster Caenorhabditis elegans
Sulfur amino acid metabolism	Xenopus tropicalis Drosophila melanogaster Mus musculus Oryza sativa Sus scrofa Schizosaccharomyces pombe Gallus gallus Rattus norvegicus Saccharomyces cerevisiae Dictyostelium discoideum Bos taurus Homo sapiens Canis familiaris Arabidopsis thaliana Danio rerio Plasmodium falciparum Caenorhabditis elegans Taeniopygia guttata

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

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

Synonyms (22)
Vendors (29)
Annotations (23)
Representations (2)
Notes (5)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (0)