Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 7Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2489
- Core Entity Id
- 5954
- Source Entity Count
- 1
- Preferred Name
- (2r)-2-acetamidoglutaric acid
- Name En
- Pubchem Id
- 1560015
- Smiles Canonical
- CC(=O)NC(CCC(=O)O)C(=O)O
- Molecular Formula
- C7H11NO5
- Molecular Weight
- 189.1670
- Inchikey
- RFMMMVDNIPUKGG-RXMQYKEDSA-N
- Inchi
- InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1
- Isomeric Smiles
- CC(=O)N[C@H](CCC(=O)O)C(=O)O
- Cas Id
- 214-708-4
- Ob Score
- 15.5000
- Mol Logp
- -0.5595
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-2-Acetamidoglutaric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-Acetamidoglutaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-acetamidoglutaric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R)-2-acetamidoglutaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r)-2-acetamidoglutaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r)-2-acetamidoglutaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R)-2-acetamidopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-acetamidopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-acetamidopentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Acetamidopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Acetamidopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
19146-55-5
Role
alias
Source
HERB_v2
Preferred
No
Name
19146-55-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
339072-10-5
Role
alias
Source
HERB_v2
Preferred
No
Name
339072-10-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC-D-GLU-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
AC-D-GLU-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glutamic acid, N-acetyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Glutamic acid, N-acetyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glutamic acid, N-acetyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Glutamic acid, N-acetyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-ACETYL-D-GLUTAMIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
N-ACETYL-D-GLUTAMIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-acetyl-d-glu
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetyl-d-glu
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-acetyl-d-glutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-acetyl-d-glutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
N- Acetyl Glutamate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N- acetyl glutamate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-acetyl glutamate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-2-acetamidopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1188-37-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ac-Glu-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetyl glutamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetyl-L-glutamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Acetyl-L-glutamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Acetylglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetyl-L-glutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetylglutamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
acetylglutamic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-acetamidopentanedioic acid(R)-2-Acetamidopentanedioic acid19146-55-5339072-10-5AC-D-GLU-OHD-Glutamic acid, N-acetyl-Glutamic acid, N-acetyl-N-ACETYL-D-GLUTAMIC ACIDN-acetyl-d-glun-acetyl-d-glutamateN- Acetyl GlutamateN-acetyl glutamate(2S)-2-acetamidopentanedioic acid1188-37-0Ac-Glu-OHAcetyl glutamic acidAcetyl-L-glutamic acidN-Acetyl-L-glutamic acidN-AcetylglutamateN-acetyl-L-glutamateN-acetylglutamic acidacetylglutamic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006372HBIN036266
Npass
NPC263065
Tcmid
36550
Tcmsp
MOL006950
Sym Map
SMIT08485SMIT25571
Pub Chem
156001570914
Tcmbank
TCMBANKIN036369TCMBANKIN005097
Etcm Ingredient
(2R)-2-acetamidoglutaric acid
Itcmdb Generated
ITX-INGREDIENT-66C21D46A2D5ITX-INGREDIENT-96653E9455C9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1
Mol Wt
189.167
Cas Id
214-708-4
Smiles
CC(=O)NC(CCC(=O)O)C(=O)O
Mol Log P
-0.5594999999999994
Version
v1,v2
In Ch Ikey
RFMMMVDNIPUKGG-RXMQYKEDSA-N
Ob Score
15.515.50029615.5002963
Suppress
0
Num Hdonors
3
Drug Likeness
0.537
Num Hacceptors
3
Isomeric Smiles
CC(=O)N[C@H](CCC(=O)O)C(=O)O
Molecule Weight
189.19
Canonical Smiles
CC(=O)NC(CCC(=O)O)C(=O)O
Herb Alias Names
19146-55-5N-ACETYL-D-GLUTAMIC ACID(R)-2-Acetamidopentanedioic acidAC-D-GLU-OH(2R)-2-acetamidopentanedioic acidD-Glutamic acid, N-acetyl-N-acetyl-d-glun-acetyl-d-glutamate339072-10-5Glutamic acid, N-acetyl-
Molecular Weight
189.060
Molecular Weight
189.17 g/mol
Molecular Formula
C7H11NO5
Molecular Formula
C7H11NO5
Molecular Formula
C7H11NO5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.537