Thiamine monophosphate (BioCAD00000375342)

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Metabolite Card

Formula: C12H17N4O4PS (344.0708)
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-]

Synonyms [en]

Thiamine monophosphate; 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(hydrogen phosphonatooxy)ethyl]-4-methyl-1,3-thiazol-3-ium; thiamine(1+) monophosphate(1-); 2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl hydrogen phosphate; Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-, inner salt; Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Thiamine monophosphate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000375342). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Thiamine(1+) monophosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups. It is a vitamin B1, an ammonium betaine and a thiamine phosphate. It is a conjugate base of a thiamine(1+) monophosphate. It is a conjugate acid of a thiamine(1+) monophosphate(2-). Thiamine monophosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Thiamine phosphoric acid ester is a natural product found in Homo sapiens, Brassica napus, and other organisms with data available. Thiamine monophosphate is a metabolite found in or produced by Saccharomyces cerevisiae. Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 10023-48-0
  • CAS Registry Number: 273724-21-3
  • CAS Registry Number: 495-23-8
  • CAS Registry Number: 532-40-1
  • PubChem: 1131
  • PubChem: 3382778
  • ChEBI: ChEBI:37574
  • HMDB: HMDB0002666
  • HMDB: HMDB02666
  • KEGG: C01081
  • NCBI MeSH: Thiamine Monophosphate
  • Wikipedia: Thiamine_monophosphate
  • DrugBank: DB03416
  • RefMet: RM0159451
  • MoNA: BAF_UVA_POS000115
  • MoNA: BAF_UVA_POS000116
  • MoNA: BAF_UVA_POS000117
  • MoNA: BAF_UVA_POS000118
  • MoNA: BAF_UVA_POS000530
  • MoNA: CCMSLIB00000578005
  • MoNA: CCMSLIB00005464610
  • MoNA: CCMSLIB00005720446
  • MoNA: EMBL-MCF_spec124611
  • MoNA: MoNA001988
  • MoNA: MoNA001990
  • MoNA: MoNA001991
  • MoNA: MoNA024050
  • Metlin: METLIN_3488
  • Coconut NaturalProduct: CNP0501408.1

Class / Ontology

Metabolic Network
ID EC Number Name
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
PathBank:SMP0002042 Thiamin Diphosphate Biosynthesis
PathBank:SMP0002385 Vitamin B1/Thiamine Metabolism
PathBank:SMP0087212 Thiamine Metabolism
PathBank:SMP0000076 Thiamine Metabolism
PathBank:SMP0063677 Thiamine Metabolism
PathBank:SMP0122222 Thiamin Diphosphate Biosynthesis
PathBank:SMP0087307 Thiamine Metabolism
View All Pathways