Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33836
- Core Entity Id
- 40807
- Source Entity Count
- 1
- Preferred Name
- Ssulfocysteine
- Name En
- Pubchem Id
- 115015
- Smiles Canonical
- C(C(C(=O)O)N)SS(=O)(=O)O
- Molecular Formula
- C3H7NO5S2
- Molecular Weight
- 201.2250
- Inchikey
- NOKPBJYHPHHWAN-REOHCLBHSA-N
- Inchi
- InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
- Isomeric Smiles
- C([C@@H](C(=O)O)N)SS(=O)(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0657
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ssulfocysteine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ssulfocysteine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ssulfocysteine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1637-71-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
1637-71-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Cysteine-S-sulfate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cysteine-S-sulfate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cysteine-S-sulfonate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cysteine-S-sulfonate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cysteinyl-S-sulfonate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cysteinyl-S-sulfonate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cysteinyl-S-sulfonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cysteinyl-S-sulfonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Cysteine S-sulfate
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Cysteine S-sulfate
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Cysteine, S-sulfo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Cysteine, S-sulfo-
Role
alias
Source
HERB_v2
Preferred
No
Name
S-Sulfo-L-cysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
S-Sulfo-L-cysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
S-Sulfocysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
S-Sulfocysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
S-Sulphocysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
S-Sulphocysteine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1637-71-4Cysteine-S-sulfateCysteine-S-sulfonateCysteinyl-S-sulfonateCysteinyl-S-sulfonic acidL-Cysteine S-sulfateL-Cysteine, S-sulfo-S-Sulfo-L-cysteineS-SulfocysteineS-Sulphocysteine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044682
Tcmid
24565
Pub Chem
115015
Tcmbank
TCMBANKIN026056
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
Mol Wt
201.225
Smiles
C(C(C(=O)O)N)SS(=O)(=O)O
Mol Log P
-1.0657
In Ch Ikey
NOKPBJYHPHHWAN-REOHCLBHSA-N
Num Hdonors
3
Drug Likeness
0.391
Num Hacceptors
5
Isomeric Smiles
C([C@@H](C(=O)O)N)SS(=O)(=O)O
Canonical Smiles
C(C(C(=O)O)N)SS(=O)(=O)O
Herb Alias Names
S-SulfocysteineL-Cysteine S-sulfate1637-71-4S-Sulfo-L-cysteineS-SulphocysteineCysteine-S-sulfateCysteine-S-sulfonateCysteinyl-S-sulfonateL-Cysteine, S-sulfo-Cysteinyl-S-sulfonic acid
Molecular Formula
C3H7NO5S2
Molecular Formula
C3H7NO5S2
Num Rotatable Bonds
4