Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2421
- Core Entity Id
- 5878
- Source Entity Count
- 1
- Preferred Name
- Akg
- Name En
- Pubchem Id
- 51
- Smiles Canonical
- C(CC(=O)O)C(=O)C(=O)O
- Molecular Formula
- C5H6O5
- Molecular Weight
- 146.0980
- Inchikey
- KPGXRSRHYNQIFN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
- Isomeric Smiles
- C(CC(=O)O)C(=O)C(=O)O
- Cas Id
- 27175-99-1
- Ob Score
- 22.5819
- Mol Logp
- -0.4951
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Oxoglutarate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Akg
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Oxoglutarate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-oxoglutarate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-oxoglutarate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
AKG
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
AKG
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Akg
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Akg
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Akg
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.alpha.-Oxoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-KETOGLUTARATE
Role
alias
Source
TCMBank
Preferred
No
Name
2-OXYGLUTARIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
2-Oxo-1,5-pentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Oxopentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Oxopentanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oxopentanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ketoglutaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-ketoglutaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ketoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-oxoglutarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-oxoglutarate
Role
alias
Source
TCMBank
Preferred
No
Name
2-oxoglutarate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-oxoglutaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-oxoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-oxoglutaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-oxopentanedionate
Role
alias
Source
TCMBank
Preferred
No
Name
2-oxopentanedionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
27175-99-1
Role
alias
Source
TCMBank
Preferred
No
Name
2OG
Role
alias
Source
TCMBank
Preferred
No
Name
328-50-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
328-50-7
Role
alias
Source
HERB_v2
Preferred
No
Name
328-50-7
Role
alias
Source
TCMBank
Preferred
No
Name
34410-46-3
Role
alias
Source
TCMBank
Preferred
No
Name
4-ketopent-2-ynedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-oxopent-2-ynedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
86248-59-1
Role
alias
Source
TCMBank
Preferred
No
Name
997-43-3
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-26938
Role
alias
Source
TCMBank
Preferred
No
Name
Bis(L-arginin)-2-oxoglutarat
Role
alias
Source
TCMBank
Preferred
No
Name
C00026
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30915
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-330-3
Role
alias
Source
TCMBank
Preferred
No
Name
GLUTARIC ACID, ALPHA KETO
Role
alias
Source
TCMBank
Preferred
No
Name
Glutaric acid, 2-oxo-
Role
alias
Source
TCMBank
Preferred
No
Name
Glutaric acid, 2-oxo- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10
Role
alias
Source
TCMBank
Preferred
No
Name
K1128_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
K1750_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00013225
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090946-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI17391
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_001411
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc1_001710
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc2_000215
Role
alias
Source
TCMBank
Preferred
No
Name
NChemBio.2007.20-comp12
Role
alias
Source
TCMBank
Preferred
No
Name
NChemBio.2007.21-comp7
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-17391
Role
alias
Source
TCMBank
Preferred
No
Name
Oxoglutarate
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxoglutarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxoglutaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxoglutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Oxoglutaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentanedioic acid, 2-oxo-
Role
alias
Source
TCMBank
Preferred
No
Name
Pentanedioic acid, 2-oxo- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
STK002174
Role
alias
Source
TCMBank
Preferred
No
Name
alpha Ketoglutarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Ketoglutaric acid alpha
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Oxopentanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-keto-Glutaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-ketoglutarate
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-ketoglutaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-ketoglutaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-oxoglutarate
Role
alias
Source
TCMBank
Preferred
No
Name
ketoglutarate
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio816-comp3
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio856-comp1
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Oxoglutarate.alpha.-Oxoglutaric acid2-KETOGLUTARATE2-OXYGLUTARIC ACID2-Oxo-1,5-pentanedioic acid2-Oxopentanedioic acid2-ketoglutaric acid2-oxoglutaric acid2-oxopentanedionate2-oxopentanedionic acid27175-99-12OG328-50-734410-46-34-ketopent-2-ynedioic acid4-oxopent-2-ynedioic acid86248-59-1997-43-3AI3-26938Bis(L-arginin)-2-oxoglutaratC00026CHEBI:30915EINECS 206-330-3GLUTARIC ACID, ALPHA KETOGlutaric acid, 2-oxo-Glutaric acid, 2-oxo- (8CI)InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10K1128_SIGMAK1750_SIALNCGC00013225NCGC00090946-01NCI17391NCI60_001411NCIStruc1_001710NCIStruc2_000215NChemBio.2007.20-comp12NChemBio.2007.21-comp7NSC-17391OxoglutarateOxoglutaric acidPentanedioic acid, 2-oxo-Pentanedioic acid, 2-oxo- (9CI)STK002174alpha Ketoglutaratealpha-Ketoglutaric acid alphaalpha-Oxopentanedioic acidalpha-keto-Glutaric acidalpha-ketoglutaratealpha-ketoglutaric acidalpha-oxoglutarateketoglutaratenchembio816-comp3nchembio856-comp1
Cross References
Trusted external identifiers retained for this final record.
Cas
27175-99-1
Herb
HBIN006284HBIN015016
Npass
NPC128713
Tcmid
32878
Tcmsp
MOL007523
Sym Map
SMIT08938SMIT20701
Pub Chem
51
Tcmbank
TCMBANKIN057962
Etcm Ingredient
AKG
Itcmdb Generated
ITX-INGREDIENT-09CE7ECCF4BDITX-INGREDIENT-F7C2ADB65C7C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
Mol Wt
146.098
Smiles
C(CC(=O)O)C(=O)C(=O)O
Mol Log P
-0.4950999999999999
Version
v1,v2v2
In Ch Ikey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
Ob Score
22.58187522.5818750522.582
Suppress
0
Num Hdonors
2
Drug Likeness
0.522
Num Hacceptors
3
Isomeric Smiles
C(CC(=O)O)C(=O)C(=O)O
Molecule Weight
146.11
Canonical Smiles
C(CC(=O)O)C(=O)C(=O)O
Herb Alias Names
2-ketoglutaric acid2-Oxopentanedioic acid328-50-72-oxoglutaric acidalpha-ketoglutaric acidalpha-ketoglutarateOxoglutaric acidOxoglutaratealpha Ketoglutarate
Molecular Weight
146.020
Molecular Weight
146.1 g/mol
Molecular Formula
C5H6O5
Molecular Formula
C5H6O5
Molecular Formula
C5H6O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.522