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Pteroylglutamic acid

AlkaPlorer ID: AK311597

Synonym: N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]glutamic acid, Folic acid, Vitamin Bc, Vitamin M, Coenzyme F, Leucal, CoF, Citrovorin, Folacin, Folvite, Foliamin, NSC 3073 

IUPAC Name: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Structure

SMILES: NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C3)=CN=C2N1

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InChI: InChI=1S/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)

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InChIKey: OVBPIULPVIDEAO-UHFFFAOYSA-N

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Reference

PubChem CID: 135444779

CAS: 59-30-3

NPASS: NPC177996

COCONUT: CNP0324599.6

Properties Information

Molecule Weight: 441.40400000000017

TPSA？: 213.28

MolLogP？: -0.0447999999999994

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 35481.3 nM None
Equus caballus Ferritin light chain Potency 50118.7 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 31622.8 nM None
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Alpha-galactosidase A Potency 44668.4 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens DNA polymerase iota Potency 28183.8 nM None
Homo sapiens DNA polymerase kappa Potency 39810.7 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Eyes absent homolog 2 Potency 16946.9 nM None
Homo sapiens Geminin Potency 11885.6 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 3162.3 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 10000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 899.5 nM None
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 22387.2 nM None
None Unchecked Potency 316.2 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 13461.4 nM None

Metabolism Information