Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33488
- Core Entity Id
- 40413
- Source Entity Count
- 1
- Preferred Name
- S-methyl mercapto-l-cysteine
- Name En
- Pubchem Id
- 129710602
- Smiles Canonical
- CSCC(C(=O)O)NS
- Molecular Formula
- C4H9NO2S2
- Molecular Weight
- 167.2550
- Inchikey
- UTQJMGWAXOJDQG-VKHMYHEASA-N
- Inchi
- InChI=1S/C4H9NO2S2/c1-9-2-3(5-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
- Isomeric Smiles
- CSC[C@@H](C(=O)O)NS
- Cas Id
- Ob Score
- Mol Logp
- 0.2370
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
S-Methyl Mercapto-L-Cysteine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
S-Methyl mercapto-L-cysteine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
S-methyl mercapto-l-cysteine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
S-methyl mercapto-l-cysteine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
s-methyl mercapto-l-cysteine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R)-3-methylsulanyl-2-(sulanylamino)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-3-methylsulanyl-2-(sulanylamino)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229195
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229195
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-3-methylsulanyl-2-(sulanylamino)propanoic acidCHEBI:229195
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044204
Tcmid
14574
Sym Map
SMIT16671
Pub Chem
129710602
Tcmbank
TCMBANKIN015604
Etcm Ingredient
S-Methyl mercapto-L-cysteine
Itcmdb Generated
ITX-INGREDIENT-A4A80641B580
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H9NO2S2/c1-9-2-3(5-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
Mol Wt
167.255
Smiles
CSCC(C(=O)O)NS
Mol Log P
0.237
Version
v1,v2
In Ch Ikey
UTQJMGWAXOJDQG-VKHMYHEASA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.525
Num Hacceptors
4
Isomeric Smiles
CSC[C@@H](C(=O)O)NS
Canonical Smiles
CSCC(C(=O)O)NS
Herb Alias Names
CHEBI:229195(2R)-3-methylsulanyl-2-(sulanylamino)propanoic acid
Molecular Weight
167.010
Molecular Weight
167.3 g/mol
Molecular Formula
C4H9NO2S2
Molecular Formula
C4H9NO2S2
Molecular Formula
C4H9NO2S2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.594