| Identification | Back Directory | [Name]
Hercynine | [CAS]
534-30-5 | [Synonyms]
Hercynine
N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine
N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
(S)-3-(1H-Imidazol-5-yl)-2-(trimethylammonio)propanoate | [Molecular Formula]
C9H15N3O2 | [MDL Number]
MFCD34596650 | [MOL File]
534-30-5.mol | [Molecular Weight]
197.24 |
| Chemical Properties | Back Directory | [Melting point ]
237-238° (dec) | [alpha ]
D22 +44.5° (5N HCl) | [storage temp. ]
2-8°C | [solubility ]
Methanol (Slightly), Water (Slightly) | [form ]
Solid | [color ]
Off-White to Pale Yellow | [Stability:]
Hygroscopic | [InChI]
InChI=1/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/t8-/s3 | [InChIKey]
GPPYTCRVKHULJH-SBYBRXNCNA-N | [SMILES]
[C@H](C(=O)[O-])([N+](C)(C)C)CC1NC=NC=1 |&1:0,r| |
| Hazard Information | Back Directory | [Uses]
L-Hercynine is a precursor of L-(+)-Ergothioneine (E600000); a natural molecule isolated from the rye ergot fungus and later identified in rat erythrocytes and liver and in numerous other animal tissues. Its antioxidizing properties may afford the compound therapeutic potential or it may be used as a food additive or in cosmetics. | [Definition]
ChEBI: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine is an amino-acid betaine and a member of N(alpha)-methyl-L-histidines. It is a conjugate base of a N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+). |
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