Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 11Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19704
- Core Entity Id
- 25084
- Source Entity Count
- 1
- Preferred Name
- Gamma-hydroxy glutaminicacid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C5H9NO5
- Molecular Weight
- 163.1290
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -4.3700
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 120.8500
- Molecular Volume
- 117.9900
- Alogp
- -4.3700
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gamma-hydroxy glutaminic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gamma-hydroxy glutaminicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
gamma-Hydroxy glutaminic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gamma-hydroxy glutaminic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Gamma-hydroxy glutaminic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027142HBIN049136
Tcmid
1015031196
Sym Map
SMIT15845
Tcmbank
TCMBANKIN050489
Etcm Ingredient
gamma-Hydroxy glutaminic acid
Itcmdb Generated
ITX-INGREDIENT-174B384ABA09
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.55034
Jx
3.60985
Jy
3.91967
Bic
0.71139
Cic
0.90909
Phi
3.83186
Sic
0.73721
Log D
-5.782
Sc 0
11
Sc 1
10
Sc 2
13
Alog P
-4.37
Chi 0
9.0165
Chi 1
4.94726
Chi 2
4.6783
Pmi X
30.8986
Energy
5.49
Sc 3 C
4
Sc 3 P
12
Zagreb
46
Chi 3 C
1.13807
Chi 3 P
3.01971
Chi V 0
5.59729
Chi V 1
2.84084
Chi V 2
2.03446
Kappa 1
11
Kappa 2
4.79289
Kappa 3
4.44444
Sc 3 Ch
0
Alog P Mr
27.193
Chi 3 Ch
0
Dipole X
-0.3812
Dipole Y
-1.96874
Dipole Z
1.98155
Iac Mean
1.73449
Is Chiral
0
Chi V 3 C
0.31454
Chi V 3 P
1.07945
Es Sum D O
19.987
Es Sum T N
0
E Adj Equ
82.6746
E Adj Mag
122.211
Hba Count
2
Hbd Count
2
Iac Total
34.69
Jurs Rasa
0.12543
Jurs Rncg
0.20232
Jurs Rncs
6.67701
Jurs Rpcg
0.35654
Jurs Rpcs
3.10013
Jurs Rpsa
0.87456
Jurs Sasa
308.084
Jurs Tasa
38.6442
Jurs Tpsa
269.44
Num Atoms
11
Num Bonds
10
Num Rings
0
Shadow Xy
44.5534
Shadow Xz
31.0931
Shadow Yz
17.3749
Shadow Nu
2.68184
V Adj Equ
78.2645
V Adj Mag
86.4386
Mol2 Path
/TCM_database/2003_3d_all/4063.mol2
Reference
6
Chi V 3 Ch
0
Dipole Mag
2.81918
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
24.9
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
10.18
Kappa 2 Am
4.14051
Kappa 3 Am
3.78623
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
2
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-2.799
Es Sum S Ch3
0
Es Sum S Nh2
4.932
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-196.499
Jurs Dpsa 3
86.7656
Jurs Fnsa 1
0.8189
Jurs Fnsa 2
-1.54837
Jurs Fnsa 3
-0.25642
Jurs Fpsa 1
0.18109
Jurs Fpsa 2
0.14592
Jurs Fpsa 3
0.02521
Jurs Pnsa 1
252.292
Jurs Pnsa 2
-477.028
Jurs Pnsa 3
-78.9965
Jurs Ppsa 1
55.7925
Jurs Ppsa 3
7.76915
Jurs Wnsa 1
77.7271
Jurs Wnsa 2
-146.965
Jurs Wnsa 3
-24.3376
Jurs Wpsa 1
17.1888
Jurs Wpsa 3
2.39355
Num Pi Bonds
0
Admet Psa 2 D
123.588
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
3
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.482
Es Sum Ss Nh2
0
Es Sum Sss Ch
-3.04
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
6
Num H Donors
4
Admet Alog P98
-1.891
Admet Ext Ppb
-8.10696
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
2
Es Count S Ch3
0
Es Count S Nh2
1
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Fragments
1
Num Hydrogens
9
Num Ring Bonds
0
Organic Count
11
Rad Of Gyration
1.89414
Shadow Xyfrac
0.66332
Shadow Xzfrac
0.75377
Shadow Yzfrac
0.69375
Strain Energy
4.19
Es Count Ss Ch2
1
Es Count Ss Nh2
0
Es Count Sss Ch
2
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
163.048
Molecular Sasa
308.97
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
10.5179
Shadow Ylength
6.38595
Shadow Zlength
3.92188
Admet Bbb Level
4
Molecular Savol
271.574
Num Atom Classes
11
Num Bridge Bonds
0
Num H Acceptors
6
Num Repeat Units
0
Admet Ext Cyp2 D6
-6.38923
Admet Solubility
1.169
Minimized Energy
1.3
Molecular Weight
163.050
Molecular Volume
117.99
Molecular Weight
163.129
Num Macro Chains
0
Molecular Formula
C5H9NO5
Molecular Formula
C5H9NO5
Molecular Formula
C5H9NO5
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
11
Num Explicit Bonds
10
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
4
Molecular Polar Sasa
229.366
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-0.573
Admet Ext Hepatotoxic
-9.87245
Admet Unknown Alog P98
0
Molecular Surface Area
170.01
Num Explicit Hydrogens
0
Num H Donors Lipinski
5
Num Pseudo Stereo Atoms
0
Admet Absorption Level
2
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
6
Molecular Polar Surface Area
120.85
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.742
Admet Ext Ppb Applicability#Md
12.2868
Fda Maximum Daily Dose (Fdamdd)
0.006
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
16.1006
Admet Ext Ppb Applicability#Mdpvalue
0.047587
Molecular Fractional Polar Surface Area
0.71
Admet Ext Hepatotoxic Applicability#Md
7.09635
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.993359
Quantitative Estimate Of Drug Likeness（Qed）
0.272