Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26126
- Core Entity Id
- 32229
- Source Entity Count
- 1
- Preferred Name
- Oxalaceticacid
- Name En
- Pubchem Id
- 970
- Smiles Canonical
- C(C(=O)C(=O)O)C(=O)O
- Molecular Formula
- C4H4O5
- Molecular Weight
- 132.0710
- Inchikey
- KHPXUQMNIQBQEV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
- Isomeric Smiles
- C(C(=O)C(=O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.8852
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oxalacetic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Oxalaceticacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxalaceticacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Oxalaceticacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
oxalaceticacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Oxobutanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oxobutanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Oxosuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oxosuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
328-42-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
328-42-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanedioic acid, oxo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanedioic acid, oxo-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ketosuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Ketosuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxobutanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxobutanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxosuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxosuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxalacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
oxalacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxaloacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxaloacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
oxaloacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
oxaloacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Oxalacetic acid2-Oxobutanedioic acid2-Oxosuccinic acid328-42-7Butanedioic acid, oxo-Ketosuccinic acidOxobutanedioic acidOxosuccinic acidoxaloacetateoxaloacetic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038427
Npass
NPC1037
Tcmid
16273
Sym Map
SMIT25896
Pub Chem
970
Tcmbank
TCMBANKIN022090
Etcm Ingredient
Oxalacetic acid
Itcmdb Generated
ITX-INGREDIENT-F009EA1CA67FITX-INGREDIENT-F87A9ABA8EA7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
Mol Wt
132.071
Smiles
C(C(=O)C(=O)O)C(=O)O
Mol Log P
-0.8852000000000002
Version
v2
In Ch Ikey
KHPXUQMNIQBQEV-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.384
Num Hacceptors
3
Isomeric Smiles
C(C(=O)C(=O)O)C(=O)O
Canonical Smiles
C(C(=O)C(=O)O)C(=O)O
Herb Alias Names
oxalacetic acidoxaloacetic acid328-42-72-Oxobutanedioic acid2-Oxosuccinic acidoxaloacetateKetosuccinic acidOxosuccinic acidButanedioic acid, oxo-Oxobutanedioic acid
Molecular Weight
132.010
Molecular Weight
132.07 g/mol
Molecular Formula
C4H4O5
Molecular Formula
C4H4O5
Molecular Formula
C4H4O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.384