Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 17Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16867
- Core Entity Id
- 21918
- Source Entity Count
- 1
- Preferred Name
- Dgl
- Name En
- Pubchem Id
- 23327
- Smiles Canonical
- C(CC(=O)O)C(C(=O)O)N
- Molecular Formula
- C5H9NO4
- Molecular Weight
- 147.1300
- Inchikey
- WHUUTDBJXJRKMK-GSVOUGTGSA-N
- Inchi
- InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
- Isomeric Smiles
- C(CC(=O)O)[C@H](C(=O)O)N
- Cas Id
- 56-86-0
- Ob Score
- 60.7770
- Mol Logp
- -0.7369
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dgl
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
DGL
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
DGL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dgl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dgl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dgl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-aminoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-aminopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-aminopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-aminopentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Aminoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-aminopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-aminopentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-aminopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
49460_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
6893-26-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
6893-26-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-09072
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_001130
Role
alias
Source
TCMBank
Preferred
No
Name
Biomol-NT_000169
Role
alias
Source
TCMBank
Preferred
No
Name
C00217
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15966
Role
alias
Source
TCMBank
Preferred
No
Name
D-(-)-Glutamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-2-Aminoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
D-2-Aminopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-2-Aminopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glu
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Glu
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glu
Role
alias
Source
TCMBank
Preferred
No
Name
D-Glutaminic acid
Role
alias
Source
TCMBank
Preferred
No
Name
D-Glutaminsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
D-glutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
D-glutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-glutamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 230-000-8
Role
alias
Source
TCMBank
Preferred
No
Name
G1001_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Glutamic acid D-form
Role
alias
Source
TCMBank
Preferred
No
Name
Glutamic acid D-form
Role
alias
Source
HERB_v2
Preferred
No
Name
Glutamic acid D-form
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-D-Glu-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
H-D-Glu-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac-G-2128
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015470-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024501-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024501-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00024501-03
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 77686
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_000131
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_001486
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_000130
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_001470
Role
alias
Source
TCMBank
Preferred
No
Name
R-(−)-1-Aminopropane-1,3-dicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
SBB006707
Role
alias
Source
TCMBank
Preferred
No
Name
Tocris-0217
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-aminoglutaric acid(2R)-2-aminopentanedioic acid(R)-2-Aminoglutaric acid(R)-2-aminopentanedioic acid49460_FLUKA6893-26-1AI3-09072BPBio1_001130Biomol-NT_000169C00217CHEBI:15966D-(-)-Glutamic acidD-2-Aminoglutaric acidD-2-Aminopentanedioic acidD-GluD-Glutaminic acidD-GlutaminsaeureD-glutamateD-glutamic acidEINECS 230-000-8G1001_SIGMAGlutamic acid D-formH-D-Glu-OHInChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10Lopac-G-2128NCGC00015470-01NCGC00024501-01NCGC00024501-02NCGC00024501-03NSC 77686PDSP1_000131PDSP1_001486PDSP2_000130PDSP2_001470R-(−)-1-Aminopropane-1,3-dicarboxylic acidSBB006707Tocris-0217
Cross References
Trusted external identifiers retained for this final record.
Cas
56-86-0
Herb
HBIN023526
Npass
NPC273330
Tcmsp
MOL009658
Sym Map
SMIT10755
Pub Chem
23327
Tcmbank
TCMBANKIN027343
Etcm Ingredient
DGL
Itcmdb Generated
ITX-INGREDIENT-44A98D95D2CD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Mol Wt
147.13
Cas Id
56-86-0
Smiles
C(CC(=O)O)C(C(=O)O)N
Mol Log P
-0.736899999999999
Version
v1,v2
In Ch Ikey
WHUUTDBJXJRKMK-GSVOUGTGSA-N
Ob Score
60.77760.7771036860.777104
Suppress
0
Num Hdonors
3
Drug Likeness
0.486
Num Hacceptors
3
Isomeric Smiles
C(CC(=O)O)[C@H](C(=O)O)N
Molecule Weight
147.15
Canonical Smiles
C(CC(=O)O)C(C(=O)O)N
Herb Alias Names
D-glutamic acid6893-26-1H-D-Glu-OH(R)-2-aminopentanedioic acid(2R)-2-aminopentanedioic acidD-GluD-glutamateGlutamic acid D-formD-2-Aminopentanedioic acidD-(-)-Glutamic acid
Molecular Weight
147.050
Molecular Weight
147.13
Molecular Formula
C5H9NO4
Molecular Formula
C5H9NO4
Molecular Formula
C5H9NO4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.486