Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17447
- Core Entity Id
- 22562
- Source Entity Count
- 1
- Preferred Name
- Dithioerythritol
- Name En
- Dithioerythritol
- Pubchem Id
- 439352
- Smiles Canonical
- C(C(C(CO)S)S)O
- Molecular Formula
- C4H10O2S2
- Molecular Weight
- 154.2560
- Inchikey
- VHJLVAABSRFDPM-ZXZARUISSA-N
- Inchi
- InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
- Isomeric Smiles
- C([C@H]([C@H](CS)O)O)S
- Cas Id
- Ob Score
- Mol Logp
- -0.4322
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dithioerythritol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dithioerythritol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dithioerythritol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S)-1,4-disulfanylbutane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S)-1,4-disulfanylbutane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Dithioerythritol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Dithioerythritol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-
Role
alias
Source
HERB_v2
Preferred
No
Name
6892-68-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
6892-68-8
Role
alias
Source
HERB_v2
Preferred
No
Name
DTE
Role
alias
Source
HERB_v2
Preferred
No
Name
DTE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dithioerythreitol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dithioerythreitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
erythro-1,4-Dimercapto-2,3-butanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
erythro-1,4-Dimercapto-2,3-butanediol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol(2R,3S)-1,4-disulfanylbutane-2,3-diol1,4-Dithioerythritol2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-6892-68-8DTEDithioerythreitolerythro-1,4-Dimercapto-2,3-butanediol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024274
Tcmid
23292
Pub Chem
43935253924528
Tcmbank
TCMBANKIN026435
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
Mol Wt
154.256
Smiles
C(C(C(CO)S)S)O
Mol Log P
-0.4321999999999999
In Ch Ikey
VHJLVAABSRFDPM-ZXZARUISSA-N
Num Hdonors
4
Drug Likeness
0.417
Num Hacceptors
4
Isomeric Smiles
C([C@H]([C@H](CS)O)O)S
Canonical Smiles
C(C(C(CS)O)O)S
Herb Alias Names
6892-68-81,4-DithioerythritolDTEDithioerythreitol(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-(2R,3S)-1,4-disulfanylbutane-2,3-diolerythro-1,4-Dimercapto-2,3-butanediol(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
Molecular Weight
154.3 g/mol
Molecular Formula
C4H10O2S2
Molecular Formula
C4H10O2S2
Num Rotatable Bonds
3