UCSF

ZINC01532839

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 22 No

Popular Name: Thiamine monophosphate Thiamine monophosphate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 273724-21-3 , 495-23-8 , 532-40-1

Other Names:

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazolium chloride, monohydrochloride; EINECS 240-168-4; LS-151923; Thiamine hydrochloride phosphate; Thiamine monophosphate monohydrochloride dihydrate; Thiamine monophosphoric

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium; TMP; TPS; Thiamin monophosphate; Thiamin phosphate; Thiamine monophosphate; Thiamine phosphate; bmse000699

532-40-1; D08581; Monophosphothiamine (INN); Thiamine monophosphate chloride

532-40-1; THIAMINE-P; TMP; ThP; thiamin monophosphate; thiamin phosphate; thiamin-P; thiamine monophosphate; thiamine-Pi; thiamine-phosphate

Aneurin-monophosphorsaeureester; Aneurine monophosphate; Monofosfotiamina; Monophosphoric ester of thiamine; Monophosphothiamine; Monophosphothiaminum; Phosphothiaminum; Thiamin dihydrogenphosphate; thiamin monophosphate; Thiamin phosphate; Thiamine monop

Aneurin-monophosphorsaeureester; Aneurine monophosphate; Monofosfotiamina; Monophosphoric ester of thiamine; Monophosphothiamine; Monophosphothiaminum; Phosphothiaminum; TMP; Thiamin dihydrogenphosphate; Thiamin monophosphate; Thiamin phosphate; Thiamine

Aneurin-monophosphorsaeureester;Aneurine monophosphate;Monofosfotiamina;Monophosphoric ester of thiamine;Monophosphothiamine;Monophosphothiaminum;Phosphothiaminum;Thiamin dihydrogenphosphate;Thiamin monophosphate;Thiamin phosphate;Thiamine monophosphate;T

Aneurin-monophosphorsaeureester;Aneurine monophosphate;Monofosfotiamina;Monophosphoric ester of thiamine;Monophosphothiamine;Monophosphothiaminum;Phosphothiaminum;TMP;Thiamin dihydrogenphosphate;Thiamin monophosphate;Thiamin phosphate;Thiamine monophospha

C01081; TMP; Thiamin monophosphate; Thiamin phosphate; Thiamine monophosphate; Thiamine phosphate

CHEBI:26944

INN)

LS-187052

LS-187664

monofosfotiamina; monophosphothiamine; monophosphothiaminum

Monophosphothiamine (DCF

Thiamin dihydrogenphosphatchlorid; monophosphoric ester of thiamine; thiamine monophosphate chloride; vitamin B1 monophosphate; vitamin B1 phosphate

Thiamin Phosphate

thiamine phosphate

thiamine(1+) monophosphate

thiamine(1+) monophosphate chloride

thiamine(1+) monophosphate(2-)

Thiaminemonophosphatechloridedihydrate

TMP; Thiamin monophosphate; Thiamin phosphate; Thiamine monophosphate; Thiamine phosphate

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) -4.11 4.51 -121.31 2 8 -1 128 343.325 6 ↓
Mid Mid (pH 6-8) -4.11 3.36 -49.82 3 8 0 125 344.333 6 ↓
Lo Low (pH 4.5-6) -4.11 3.81 -98.96 4 8 1 127 345.341 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 5NTD_PSEAE; DBD34_SEDHY; ENPP2_BOVIN; ENPP2_HUMAN; ENPP2_MOUSE; ENPP2_RAT; KTHY_ECOLI; KTHY_MYCTU; KTHY_SHIFL; KTHY_VACCC; KTHY_VACCW; KTHY_VAR67; NDT1_ARATH; NDT2_ARATH; NUDJ_ECOLI; P936_METJA; PIP12_ARATH; PIP13_ARATH; PIP14_ARATH; R15PI_THEKO; TENI_BAC ChEBI
ALOGPS_SOLUBILITY 8.90e-02 g/l DrugBank-experimental
UniProt Database Links DBD34_SEDHY; THI6_SCHPO; THI6_YEAST; THIDN_METJA; THIDN_THEMA; THIE1_AQUAE; THIE1_STRPN; THIE1_STRR6; THIE2_AQUAE; THIE2_STRPN; THIE2_STRR6; THIEC_BIFLO; THIED_COREF; THIED_CORGL; THIED_GEOSL; THIE_ACIC1; THIE_ACIF2; THIE_ACIF5; THIE_ACTP7; THIE_ACTSZ; TH ChEBI

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