Cas no 108418-14-0 (L-Histidine,5-mercapto-N,3-dimethyl-)
108418-14-0 structure
Product Name:L-Histidine,5-mercapto-N,3-dimethyl-
CAS No:108418-14-0
MF:C8H13N3O2S
MW:215.272720098495
CID:236100
PubChem ID:86289936
Update Time:2025-04-19
L-Histidine,5-mercapto-N,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Histidine,5-mercapto-N,3-dimethyl-
- OvothiolB
- Q27156248
- 108418-14-0
- N,3-dimethyl-5-sulfanyl-L-histidine
- Ovothiol B
- CHEBI:83413
- L-ovothiol B
- (S)-3-(4-Mercapto-1-methyl-1H-imidazol-5-yl)-2-(methylamino)propanoic acid
-
- Inchi： 1S/C8H13N3O2S/c1-9-5(8(12)13)3-6-7(14)10-4-11(6)2/h4-5,9,14H,3H2,1-2H3,(H,12,13)/t5-/m0/s1
- InChI Key： VBMIRSPJYVMQOI-YFKPBYRVSA-N
- SMILES： SC1=C(C[C@@H](C(=O)O)NC)N(C)C=N1
Computed Properties
- Exact Mass: 215.07299
- Monoisotopic Mass: 215.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- PSA: 74.56
L-Histidine,5-mercapto-N,3-dimethyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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