UCSF

ZINC18456289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2008 32 Yes

Popular Name: Folic acid Folic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 171777-72-3 , 59-30-3 , 6484-89-5 , 65165-92-6 , 75708-92-8

Other Names:

"Folic acid, 96%"

(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

01769_FLUKA

2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

2d0k

33609-88-0

36653-55-1 (mono-potassium salt)

4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-

4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; AI3-26387; Acfol (Spain); Acide folique [INN-French]; Acido folico [INN-Spanish]; Acidum folicum [INN-Latin]; Acifolic; Antianemia factor; BEROCCA PN; C20H20N6O6; CCRIS 666; CER

4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; AI3-26387; Acfol (Spain); Acide folique [INN-French]; Acido folico [INN-Spanish]; Acidum folicum [INN-Latin]; Acifolic; Antianemia factor; Cytofol; FOLIC ACID; Facid; Factor U

59-30-3

59-30-3; C00504; Folate; Folic acid; Pteroylglutamic acid

59-30-3; CPD000471860; Folic acid; SAM002264616

59-30-3; D00070; Folic acid (JP16/USP/INN); Folicet (TN)

59-30-3; Folic acid; Prestwick_230

6484-89-5 (mono-hydrochloride salt)

6484-89-5; D07985; Folate sodium; Folina (TN)

AC-11682

AC1L1LNX

Acfol (Spain)

Acide folique

Acide folique [INN-French]

Acido folico

Acido folico [INN-Spanish]

Acidum folicum

Acidum folicum [INN-Latin]

Acifolic

Acifolic; Cytofol; Dosfolat B activ; Folacid; Folacin; Folate; Folbal; Folcidin; Foldine; Folettes; Foliamin; Folic acid; Folicet; Folipac; Folsan; Folsaure; Folsav; Folvite; Incafolic; Liver Lactobacillus casei factor; Millafol; N-(4-{[(2-Amino-4-oxo-3,4

Acifolic;Cytofol;Dosfolat B activ;Folacid;Folacin;Folate;Folbal;Folcidin;Foldine;Folettes;Foliamin;Folic acid;Folicet;Folipac;Folsan;Folsaure;Folsav;Folvite;Incafolic;Liver Lactobacillus casei factor;Millafol;N-(4-{[(2-Amino-4-oxo-3,4-dihydropteridin-6-yl

AI3-26387

AKOS000503224

Antianemia factor

Apo-Folic

ARONIS014410

BAN

BIDD:ER0563

BIDD:GT0641

BIF0608

bmse000299

BPBio1_000654

BSPBio_000594

BSPBio_002338

C00504

C20H20N6O6

CAS-59-30-3

CCRIS 666

CHEBI:27470

CHEBI:569217; CHEBI:42610; CHEBI:5140; CHEBI:24075

CHEMBL1622

CID6037

CPD-12826; folate; folic acid

CPD000471860

CPD000471860; Folic acid; SAM002264616

Cytofol

D00070

DAP001309

DB00158

DivK1c_000494

Dosfolat B activ

EINECS 200-419-0

Ergostim; FOP; Folcysteine; Folcysteine FOP; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, mixed with L-cysteine; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, mixt. with

F0043

F7876_SIAL

F7876_SIGMA

F8758_SIGMA

F8798_SIAL

F8890_SIGMA

Facid

Factor U

FDA

FDA)

FERROUS SULFATE; FOLIC ACID; FOLVRON; LS-187958

FOL

Folacid

Folacin

Folaemin

Folaemin [Netherlands]

Folan

Folasic (Australia)

Folate

folate(2-)

Folbal

Folcidin

Folcidin (VAN)

Folcysteine

Foldine

Foldine [France]

Folettes

Foliamin

Folic

Folic Acid (BAN

Folic Acid (FDA

Folic acid (JP15/USP/INN)

Folic acid (TN)

FOLIC ACID DIHYDRATE

Folic acid dihydrate, 97%

Folic Acid Hydrate

Folic acid [BAN:INN:JAN]

Folic acid [INN:BAN:JAN]

Folic acid, 96-102%, pure

FOLIC ACID; [59-30-3]

FolicAcid

Folicet

Folicet (TN)

Folico

Folico (Italy)

Folie acid

Folina

Folina (Italy)

Folipac

Folsaeure

Folsaeure; PGA; PteGlu; pteroyl-L-glutamic acid; pteroyl-L-monoglutamic acid; vitamin Bc; vitamin M

Folsan

Folsaure

Folsav

Folvite

Folvron

Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, l-

Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)methyl)amino)benzoyl)-, L

glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, dihydrate

Glutamic acid, pteroyl-, l-

HMS1921D20

HMS2092N17

HMS501I16

HSDB 2002

IDI1_000494

Incafolic

InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s

INN

JAN

KBio1_000494

KBio2_001861

KBio2_004429

KBio2_006997

KBio3_001558

KBioGR_002222

KBioSS_001861

Kyselina listova

Kyselina listova [Czech]

L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-

L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-

L-Glutamic acid, N-(4-(((2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-

L-Glutamic acid, N-(4-((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-

L-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-

Liver Lactobacillus casei factor

LS-2157

MFCD00014657

MFCD00079305

MFCD00150769

MFCD27756557

Millafol

Mission prenatal

Mittafol

MLS001304016

MLS001335861

MolPort-004-285-551

N-(4-(((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-L-glutamic acid

N-(4-((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid

N-(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)glutamic acid dihydrate

N-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid

N-(p-(((2-Amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid

NCGC00016265-01

NCGC00142391-01

nchembio.108-comp10

Nifolin

Nifolin [Denmark]

NINDS_000494

Novofolacid

Novofolacid [Canada]

NSC 3073

PGA

PGA (VAN)

Polic Acid [59-30-3]

Prestwick3_000627

Prestwick_230

PteGlu

Pteroyglutamic acid

Pteroyl-L-glutamic acid

Pteroyl-L-monoglutamic acid

Pteroylglutamic acid

Pteroylmonoglutamate

Pteroylmonoglutamic acid

SAM002264616

SDCCGMLS-0066738.P001

Serum Folate Level

SMP2_000137

SMR000471860

SPBio_001357

SPECTRUM1502020

Spectrum2_001459

Spectrum3_000749

Spectrum4_001751

Spectrum5_000602

Spectrum_001381

ST-5876

UNII-935E97BOY8

Usaf cb-13

USP

USP)

Vitamin B

Vitamin B11

Vitamin B9

Vitamin Bc

Vitamin Be

Vitamin M

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) -2.37 4.29 -128.65 5 13 -2 219 439.388 9 ↓
Hi High (pH 8-9.5) -1.91 2.11 -174.25 4 13 -3 222 438.38 9 ↓
Lo Low (pH 4.5-6) -2.37 2.32 -71.85 6 13 -1 216 440.396 9 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 250 Acros Organics
MP 250 °C Indofine
ALOGPS_SOLUBILITY 7.61e-02 g/l DrugBank-nutriceuticals
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar
UniProt Database Links CB083_HUMAN; CBPG_PSES6; CHLM_ARATH; DHP1_CORGT; DHP1_ECOLX; DHP1_MYCFO; DHP1_PSEAI; DHP2_ECOLX; DHP2_SHIFL; DHPS1_MYCBO; DHPS1_MYCLE; DHPS1_MYCTU; DHPS2_MYCBO; DHPS2_MYCLE; DHPS2_MYCTU; DHPS_BACSU; DHPS_CLOB8; DHPS_ECOL6; DHPS_ECOLI; DHPS_HAEIN; DHPS_NEI ChEBI
UniProt Database Links CB083_HUMAN; CBPG_PSES6; CHLM_ARATH; DHPS2_MYCBO; DHPS2_MYCLE; DHPS2_MYCTU; 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_PLAV ChEBI
Patent Database Links EP0951842; EP1471054; EP1504766; EP1518554; EP1537858; EP1538164; EP1602659; EP1607096; EP1609462; EP1624068; EP1640001; EP1652936; EP1671550; EP1671630; EP1673988; EP1676576; EP1683523; EP1698350; EP1700608; EP1717247; EP1723953; EP1728507; EP1734044; EP ChEBI
Therapy hematopoietic vitamin SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : F-9010 NIH Clinical Collection via PubChem
Reactome Database Links REACT_11104; REACT_11190; REACT_11204 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: F-9010 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-2-E Dihydrofolate Reductase (cluster #2 Of 3), Eukaryotic Eukaryotes 810 0.27 Binding ≤ 10μM
FOLR1-1-E Folate Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
FOLR2-1-E Folate Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
FOLR3-1-E Folate Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 8950 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 810 0.27 Binding ≤ 1μM
FOLR1_HUMAN P15328 Folate Receptor Alpha, Human 1 0.39 Binding ≤ 1μM
FOLR2_HUMAN P14207 Folate Receptor Beta, Human 1 0.39 Binding ≤ 1μM
FOLR3_HUMAN P41439 Folate Receptor Gamma, Human 1 0.39 Binding ≤ 1μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 4400 0.23 Binding ≤ 10μM
FOLR1_HUMAN P15328 Folate Receptor Alpha, Human 1 0.39 Binding ≤ 10μM
FOLR2_HUMAN P14207 Folate Receptor Beta, Human 1 0.39 Binding ≤ 10μM
FOLR3_HUMAN P41439 Folate Receptor Gamma, Human 1 0.39 Binding ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 8950 0.22 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Metabolism of folate and pterines

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% )