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thiamine(1+) diphosphate

chemical compound
Class type of: heterocyclic compound, cation Q415003

Facts

8 properties
Instance of
type of chemical entity
Subclass of
heterocyclic compound, cation
Canonical SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O[4]
Chemical formula
C₁₂H₁₉N₄O₇P₂S⁺[5]
Found in taxon
Escherichia coli, Saccharomyces cerevisiae
Has part(s)
nitrogen, oxygen, sulfur, carbon[6][7][8][9]
Isomeric SMILES
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
Mass
+425.045
🏷️ Also known as
en Thiamin-PPi en ThPP en TPP en Thiamin pyrophosphate en 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium en Thaimine pyrophosphate en Thiamin diphosphate en thiamine(1+) diphosphate en Thiamine diphosphate en Thiamine-PPi en Thiamine-pyrophosphate ar بيروفسفات الثيامين de Thiamindiphosphat de Thiaminpyrophosphat de Thiamin-Pyrophosphat fa تیامین پیروفسفات fr C12H19ClN4O7P2S fr 154-87-0 fr Cocarboxylase fr Diphosphate de thiamine
🔖 Identifiers · 30
OpenAlex ID
C2780047943
BabelNet ID
03792930n
CAS Registry Number
136-08-3
Cannabis Database ID
004908
ChEBI ID
9532
ChEMBL ID
CHEMBL1236376
ChemSpider ID
1100
DSSTOX compound identifier
DTXCID0028377
DSSTox substance ID
DTXSID2048404
DrugBank ID
DB01987
Encyclopædia Britannica Online ID
science/thiamin-pyrophosphate
Freebase ID
/m/02p36zz
Show all 30 identifiers +18
Human Metabolome Database ID
HMDB0001372
InChI
InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
InChIKey
AYEKOFBPNLCAJY-UHFFFAOYSA-O
KEGG ID
C00068
KNApSAcK ID
C00019627, C00059734
MassBank accession ID
MSBNK-Keio_Univ-KO000471, MSBNK-Keio_Univ-KO000472, MSBNK-Keio_Univ-KO000473, MSBNK-Keio_Univ-KO000474, MSBNK-Keio_Univ-KO000475, MSBNK-Keio_Univ-KO002582, MSBNK-Keio_Univ-KO002583, MSBNK-Keio_Univ-KO002584, MSBNK-Keio_Univ-KO002585, MSBNK-Keio_Univ-KO002586
MeSH descriptor ID
D013835
MeSH tree code
D02.886.675.900.702, D03.383.129.708.900.702, D03.383.742.795.702, D08.211.878
Microsoft Academic ID (discontinued)
2780047943
PDB ligand ID
TPP
PDB structure ID
1NGS, 4COK, 2JLA, 2Q27, 2Q29, 2Q28, 1JSC, 3MOS, 4RJI, 4RJJ, 4RJK, 1V5F, 4ZP1, 2VK4, 2VK1, 2VK8, 1UPB, 1UPC, 1UPA, 4MQ5, 3ZHR, 3ZHQ, 1OVM, 1Y9D, 2VBF, 2VBI, 2X7J, 3AI7, 1TRK, 2W93, 1Z8N, 3UPT, 5DX6, 5CM7, 1R9J, 2OZL, 1ITZ, 3S4Y, 2UZ1, 4K9P, 4K9Q, 4K9K, 4K9M, 4K9O, 3AHF, 3AHC, 3AHJ, 2V3W, 4C7X, 5D9U, 4TKR, 3C9U, 1NI4, 3M7I, 5EXD, 4JUC, 4JUB, 4JUF, 5A65, 3HWX, 3RIM, 3EKI, 1QGD, 3K0J, 2C42, 2JI8, 2JIB, 3E79, 3E78, 1POW, 1POX, 5C4I, 2GDI, 1QPB, 4QQ8, 3M6L, 1BFD, 1B0P, 2AG0, 2AG1, 2YIC, 1OZF, 3M34, 2EZ4, 2VJY, 4QPZ, 1AY0, 2PDA, 5EJ9, 2R5N, 3IAF, 4MPJ, 2IHV, 2IHT, 1N0H, 2HOK, 2HOJ, 2HOL, 2JLC, 3D2G, 2XT9, 2XT6, 2XTA, 2C3M, 2C3O, 5FEM, 4D5G, 4D5E, 1PVD, 5B47, 5B46, 2NXW, 2PGO, 2PGN, 4MPR, 2CKY, 3IHK, 5EUJ, 3MEL, 5AHK, 3EXE, 3EXF, 3EXH
Probes And Drugs ID
PD014806
PubChem CID
1132
Reaxys registry number
3577792
SPLASH
splash10-0udi-0309000000-b196fd5684e86907d04e, splash10-0udi-0409000000-088cf88d5056ce245770, splash10-004i-9822000000-670f784e69ef56047333, splash10-004i-9200000000-2ecd5ee7eb283c5cd990, splash10-004i-0001900000-59ea8d394aed62700202, splash10-00b9-0614900000-08f09a377f03019f4457, splash10-00di-0911000000-50220cd41629c569db2d, splash10-00di-0900000000-b063cac7c36e5528d334, splash10-00di-2900000000-d632b8688f17a7a01de0, splash10-004i-0000900000-0a526cc382ba251886d9, splash10-00fr-0401900000-45c1b8c46dc8e09853bc, splash10-00di-0901000000-0ebbb17293f709790a20, splash10-00di-0900000000-183c35fe537186f33876, splash10-00di-0900000000-ed41f19b9661f875ac55, splash10-00di-1900000000-ea80a0f322b11991d6ef, splash10-00di-2900000000-83b0eb52fe05e7097aff, splash10-00di-0900000000-dad8835a4b26b1df86c4, splash10-004i-0201900000-9ca110d3800e4ebfad43
SureChEMBL ID
80028
UNII
Q57971654Y
UniChem compound ID
656063

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections
Has part(s) 4
oxygen, carbon, nitrogen, sulfur
Found in taxon 2
Escherichia coli, Saccharomyces cerevisiae
Subclass of 2
heterocyclic compound, cation
Has these parts 1
thiamine(1+) ion
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Summary

thiamine(1+) diphosphate is a type of chemical entity[1]. It is a type of heterocyclic compound[2] and cation[3].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [4] ↑ . PubChem. Retrieved . wikidata.org.
  2. [5] ↑ . wikidata.org.
  3. [2] ↑ . wikidata.org.
  4. [3] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

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BibTeX @misc{4ortxyz_thiamine-1-diphosphate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{thiamine(1+) diphosphate}}, year = {2026}, url = {https://4ort.xyz/entity/thiamine-1-diphosphate}, note = {Accessed: 2026-11-04}}
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Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

  1. 20w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗
    Has parts → —
    Instance of → type of chemical entity
    Subclass of → —
    Aliases → —
    + 6 other properties edited (see Wikidata diff for full list)
    "/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"
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