Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10607
- Core Entity Id
- 14953
- Source Entity Count
- 1
- Preferred Name
- Ammonium oxalate
- Name En
- Pubchem Id
- 14213
- Smiles Canonical
- C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
- Molecular Formula
- C2H8N2O4
- Molecular Weight
- 124.0960
- Inchikey
- VBIXEXWLHSRNKB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
- Isomeric Smiles
- C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
- Cas Id
- Ob Score
- Mol Logp
- -2.7614
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ammonium Oxalate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ammonium Oxalate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ammonium oxalate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ammonium oxalate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ammonium oxalate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1113-38-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
1113-38-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Caswell No. 046A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caswell No. 046A
Role
alias
Source
HERB_v2
Preferred
No
Name
Diammonium oxalate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diammonium oxalate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanedioic acid diammonium salt
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanedioic acid, diammonium salt
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 1424
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 1424
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxalic acid, diammonium salt
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxalic acid, diammonium salt
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-0PB8MO5U0H
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0PB8MO5U0H
Role
alias
Source
itcmdb_public
Preferred
No
Name
diazanium
Role
alias
Source
HERB_v2
Preferred
No
Name
diazanium
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxalate
Role
alias
Source
HERB_v2
Preferred
No
Name
oxalate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1113-38-8Caswell No. 046ADiammonium oxalateEthanedioic acid diammonium saltEthanedioic acid, diammonium saltHSDB 1424Oxalic acid, diammonium saltUNII-0PB8MO5U0Hdiazaniumoxalate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015873
Tcmid
24680
Sym Map
SMIT22321
Pub Chem
14213
Tcmbank
TCMBANKIN021963
Itcmdb Generated
ITX-INGREDIENT-110050F56540
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
Mol Wt
124.096
Smiles
C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
Mol Log P
-2.761400000000001
Version
v2
In Ch Ikey
VBIXEXWLHSRNKB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.335
Num Hacceptors
4
Isomeric Smiles
C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
Canonical Smiles
C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
Herb Alias Names
1113-38-8Diammonium oxalateEthanedioic acid diammonium saltEthanedioic acid, diammonium saltOxalic acid, diammonium saltCaswell No. 046AHSDB 1424diazaniumoxalateUNII-0PB8MO5U0H
Molecular Weight
124.1 g/mol
Molecular Formula
C2H8N2O4
Molecular Formula
C2H8N2O4
Num Rotatable Bonds
0