- thiamine(1+)
- Charge: 1
- Formula: C12H17N4OS
- Compartment: c - cytosol
- Universal Metabolite: thm
CHEBI:18385
- thiamine(1+)
- Type: Small Molecule
- InChiKey: JZRWCGZRTZMZEH-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 265.35[0], 265.0[1]
- SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1[0,1]
- Names: Thiamin[0,1], Thiamine[0,1], Vitamin B1[0,1], Aneurin[0,1], Antiberiberi factor[0,1], 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium[0], thiaminium[0], thiamine(1+) ion[0], 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM[0], thiamine[0,1], vitamin B1[0,1], thiamine cation[0], thiamine ion[0], THI[1], thiamin[1]
Linkouts
- CHEBI: 18385 [0]
- KEGG Compound: C00378 [0,1]
- DrugBank: DB00152 [0]
- Wikipedia: Thiamine [0]
- HMDB: HMDB0000235 [0]
- MetaCyc Compound: THIAMINE [0,1]
- SEED Compound: cpd00305 [1]
- MetaNetX Chemical: MNXM161565 [1], MNXM322 [1]
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:
A total of 46 (5.79%) metabolites are not produced by any reaction of the model: __iJN678__glc_B_c, 4abutn_c, appl_c, __iJN678__trnaala_c, id3acald_c, ...
Orphans are metabolites that are only consumed but not produced by reactions in the model. They may indicate the presence of network and knowledge gaps. Implementation: Find orphan metabolites structurally by considering only reaction equations and bounds. FBA is not carried out.
Reactions involving thm_c in iJN678
| BiGG ID | Name | Reference | Transport | Collection-specific | Model | |
|---|---|---|---|---|---|---|
| BiGG ID | Name | Reference | Transport | Collection-specific | Model |