Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17637
- Core Entity Id
- 22775
- Source Entity Count
- 1
- Preferred Name
- (d)-threonicacid
- Name En
- Pubchem Id
- 151152
- Smiles Canonical
- C(C(C(C(=O)O)O)O)O
- Molecular Formula
- C4H8O5
- Molecular Weight
- 136.1030
- Inchikey
- JPIJQSOTBSSVTP-GBXIJSLDSA-N
- Inchi
- InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
- Isomeric Smiles
- C([C@H]([C@@H](C(=O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.2149
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(D)-Threonic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(D)-Threonic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(d)-threonicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(d)-threonicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
荨麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAN MA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hempleaf Nettle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3R)-2,3,4-trihydroxybutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R)-2,3,4-trihydroxybutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,4-Trihydroxy-(threo)-butanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,4-Trihydroxy-(threo)-butanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3909-12-4
Role
alias
Source
HERB_v2
Preferred
No
Name
3909-12-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 2,3,4-trihydroxy-, (R*,S*)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 2,3,4-trihydroxy-, (R*,S*)-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-threonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-threonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-threonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-threonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
NTD0MI8XRT
Role
alias
Source
HERB_v2
Preferred
No
Name
NTD0MI8XRT
Role
alias
Source
itcmdb_public
Preferred
No
Name
Threonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Threonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
isothreonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
isothreonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
threo-2,3,4-Trihydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
threo-2,3,4-Trihydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(D)-Threonic acid荨麻QIAN MAHempleaf Nettle(2S,3R)-2,3,4-trihydroxybutanoic acid2,3,4-Trihydroxy-(threo)-butanoic acid3909-12-4Butanoic acid, 2,3,4-trihydroxy-, (R*,S*)-D-threonic acidDL-threonic acidNTD0MI8XRTThreonic acidisothreonic acidthreo-2,3,4-Trihydroxybutyric acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024531
Npass
NPC89161
Tcmid
21324
Pub Chem
151152
Tcmbank
TCMBANKIN016946
Etcm Ingredient
(D)-Threonic acid
Itcmdb Generated
ITX-INGREDIENT-5F0D2964D0A5ITX-INGREDIENT-E3D322A49D05
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
Mol Wt
136.103
Mol Log P
-2.214899999999999
In Ch Ikey
JPIJQSOTBSSVTP-GBXIJSLDSA-N
Tcm Name
荨麻
Tcm Name2
QIAN MA
Mol2 Path
/TCM_database/2007_3d_all/21340.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Hempleaf Nettle
Drug Likeness
0.352
Num Hacceptors
4
Isomeric Smiles
C([C@H]([C@@H](C(=O)O)O)O)O
Canonical Smiles
C(C(C(C(=O)O)O)O)O
Herb Alias Names
Threonic acidD-threonic acid(2S,3R)-2,3,4-trihydroxybutanoic acid3909-12-4NTD0MI8XRTisothreonic acid2,3,4-Trihydroxy-(threo)-butanoic acidButanoic acid, 2,3,4-trihydroxy-, (R*,S*)-threo-2,3,4-Trihydroxybutyric acidDL-threonic acid
Molecular Weight
136.040
Molecular Formula
C4H8O5
Molecular Formula
C4H8O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.066
Quantitative Estimate Of Drug Likeness（Qed）
0.314