UCSF

ZINC04228235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 32 Yes

Popular Name: tetrahydrofolic acid tetrahydrofolic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 135-16-0

Other Names:

(2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid

(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

(2S)-2-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

(6S)-5,6,7,8-TETRAHYDROFOLATE

(6S)-5,6,7,8-tetrahydropteroylglutamate

(6S)-H4folate

(6S)-tetrahydrofolate

(6S)-Tetrahydrofolate; (6S)-Tetrahydrofolic acid; 5,6,7,8-Tetrahydrofolate; 5,6,7,8-tetrahydrofolic acid; tetra-H-folate; tetrahydrafolate; Tetrahydrofolate; tetrahydrofolic acid; tetrahydropteroyl mono-L-glutamate; tetrahydropteroylglutamate

(6S)-Tetrahydrofolic acid

(6S)-THFA

(6S)-THFA; (6S)-Tetrahydrofolate; (6S)-Tetrahydrofolic acid; 135-16-0; 5,6,7,8-Tetrahydrofolate; C00101; THF; Tetrahydrofolate; Tetrahydrofolic acid

135-16-0

2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

29347-89-5

5,6,7,8-tetrahydrofolate

5,6,7,8-tetrahydrofolate(2-)

5,6,7,8-tetrahydrofolic acid

5,6,7,8-tetrahydrofolic acid; THF; tetrahydrofolate; tetrahydrofolic acid

5,6,7,8-Tetrahydropteroyl-L-glutamic acid

AC1L1ASH

AC1L3M37

AC1NUT77

AC1Q5SG4

AR-1J1194

BIT3012

C00101

CHEBI:15635

CHEBI:20506

CHEBI:250731

CHEMBL1236287

CHEMBL91866

CID1129

CID11442178

CID5460413

CID91443

CID9826590

DAP001308

DB00116

DL-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-

EINECS 205-181-1

FH4

folate-H4

Glutamic acid, N-(p-(((2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, L-

glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-

H4PteGlu

L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopteridinyl)methyl)amino)benzoyl)-

L-glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-

LS-71775

MolPort-001-684-176

MolPort-004-964-617

N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid

N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)glutamic acid

N-(5,6,7,8-tetrahydropteroyl)-L-glutamic acid

N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID

N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

N-[4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl]-L-glutamic acid

nchembio.108-comp12

T3125_SIGMA

tetra-H-folate

tetrahydrafolate

tetrahydrofolate

tetrahydrofolyl-(Glu)n; tetrahydrofolyl-poly(glutamate)

tetrahydrofolyl-poly(glutamate) macromolecule

tetrahydropteroyl mono-L-glutamate

tetrahydropteroylglutamate

Tetrahydropteroylglutamic acid

th-folate

Download: MOL2 SDF SMILES Flexibase

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) -2.00 -10.22 -128.69 7 13 -2 217 443.42 9 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACSE_MOOTH; DHP1_CORGT; DHP1_ECOLX; DHP1_MYCFO; DHP1_PSEAI; DHP2_ECOLX; DHP2_SHIFL; DHPS1_MYCBO; DHPS1_MYCLE; DHPS1_MYCTU; DHPS_BACSU; DHPS_CLOB8; DHPS_ECOL6; DHPS_ECOLI; DHPS_HAEIN; DHPS_NEIMA; DHPS_NEIMB; DHPS_NEIMC; DHPS_SHIFL; DHPS_STAAC; DHPS_STAAM ChEBI
UniProt Database Links DRTS1_ARATH; DRTS2_ARATH; DRTS_CRIFA; DRTS_DAUCA; DRTS_LEIAM; DRTS_LEIMA; DRTS_MAIZE; DRTS_MIMIV; DRTS_ORYSJ; DRTS_PARTE; DRTS_PLABA; DRTS_PLACH; DRTS_PLAFK; DRTS_PLAVI; DRTS_PLAVN; DRTS_SOYBN; DRTS_TOXGO; DRTS_TRYBB; DRTS_TRYCR; DYR10_ECOLX; DYR13_ECOLX ChEBI
PUBCHEM_PATENT_ID EP0000383A1; EP0000541A2; EP0006123A1; EP0031237A1; EP0051879A2; EP0096214A1; EP0096214B1; EP0096560A1; EP0096839A1; EP0097373A2; EP0097373B1; EP0105804A2; EP0105804B1; EP0117440A1; EP0117440B1; EP0138995A1; EP0138995B1; EP0179654A2; EP0185824A1; EP018752 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 60 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 300 0.29 Binding ≤ 1μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 300 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Metabolism of folate and pterines
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation

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