UCSF

ZINC00895077

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Substance Information

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

Popular Name: L-HOMOCYSTEINE L-HOMOCYSTEINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18265-50-4 , 454-28-4 , 454-28-4; 6027-13-0 , 454-29-5 , 6027-13-0 , 6027-14-1 , [454-29-5] , [6027-13-0]

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

(S)-2-amino-4-mercapto-Butanoic acid; (S)-2-Amino-4-mercaptobutanoic acid; (S)-Homocysteine; 2-amino-4-mercapto-Butyric acid; 2-Amino-4-mercapto-L-butyric acid; 2-Amino-4-mercaptobutyric acid; homo-cys; Homocysteine; L-2-amino-4-mercapto-Butyric acid; L-2

(S)-2-Amino-4-mercaptobutyric acid

2-Amino-4-Mercapto-Butyric 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

454-28-4; 6027-13-0; L-homocysteine; homo-cys; homocysteine

CHEBI:5751; CHEBI:14408

D-Homocysteine

Dl-homocysteine

Hcy

homocysteinate

Homocysteine

homocysteine zwitterion

MFCD00004898

MFCD00151320

MFCD18785534

QB-6218

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.44 -3.12 -44.82 3 3 0 67 135.188 3 ↓
Hi High (pH 8-9.5) -2.44 -4.08 -74.77 3 3 -1 67 134.18 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.48e+01 g/l DrugBank-experimental
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 97 Fluorochem
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
Cysteine formation from homocysteine
Defective MTR causes methylmalonic aciduria and homocystinuria type cblG
Degradation of cysteine and homocysteine
Enzymatic degradation of Dopamine by monoamine oxidase
Methylation
Sulfur amino acid metabolism

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

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