Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35627
- Core Entity Id
- 42788
- Source Entity Count
- 1
- Preferred Name
- Tricholomic acid
- Name En
- Pubchem Id
- 151031
- Smiles Canonical
- C1C(ONC1=O)C(C(=O)O)N
- Molecular Formula
- C5H8N2O4
- Molecular Weight
- 160.1290
- Inchikey
- NTHMUJMQOXQYBR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)
- Isomeric Smiles
- C1C(ONC1=O)C(C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- -1.7816
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tricholomic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tricholomic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tricholomic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tricholoma muscarium
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2644-49-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2644-49-7
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Isoxazolidineacetic acid, alpha-amino-3-oxo-, (R*,R*)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Isoxazolidineacetic acid, alpha-amino-3-oxo-, (R*,R*)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL408899
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL408899
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5286246
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5286246
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Amino-3-oxo-5-isoxazolidineacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Amino-3-oxo-5-isoxazolidineacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Cycloglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Cycloglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
amino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
amino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-Cycloglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Cycloglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Tricholoma muscarium2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid2644-49-75-Isoxazolidineacetic acid, alpha-amino-3-oxo-, (R*,R*)-CHEMBL408899SCHEMBL5286246alpha-Amino-3-oxo-5-isoxazolidineacetic acidalpha-Cycloglutamateamino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acidgamma-Cycloglutamate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046930
Npass
NPC118524
Tcmid
32098
Tcm Id
24133393
Pub Chem
151031441456
Tcmbank
TCMBANKIN039730
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)
Mol Wt
160.129
Mol Log P
-1.781599999999999
In Ch Ikey
NTHMUJMQOXQYBR-UHFFFAOYSA-N
Tcm Name2
Tricholoma muscarium
Mol2 Path
/TCM_database/2007_3d_all/21562.mol2
Reference
661
Num Hdonors
3
Drug Likeness
0.443
Num Hacceptors
4
Isomeric Smiles
C1C(ONC1=O)C(C(=O)O)N
Canonical Smiles
C1C(ONC1=O)C(C(=O)O)N
Herb Alias Names
alpha-Cycloglutamate2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid2644-49-7alpha-Amino-3-oxo-5-isoxazolidineacetic acid5-Isoxazolidineacetic acid, alpha-amino-3-oxo-, (R*,R*)-gamma-Cycloglutamateamino-(3'-hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acidCHEMBL408899SCHEMBL5286246
Molecular Weight
160.13 g/mol
Molecular Formula
C5H8N2O4
Num Rotatable Bonds
2