Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 12Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9641
- Core Entity Id
- 13884
- Source Entity Count
- 1
- Preferred Name
- Ada
- Name En
- Pubchem Id
- 117765
- Smiles Canonical
- C(C(=O)N)N(CC(=O)O)CC(=O)O
- Molecular Formula
- C6H10N2O5
- Molecular Weight
- 190.1550
- Inchikey
- QZTKDVCDBIDYMD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
- Isomeric Smiles
- C(C(=O)N)N(CC(=O)O)CC(=O)O
- Cas Id
- 25990-10-7
- Ob Score
- 60.7980
- Mol Logp
- -2.0571
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ada
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ada
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ada
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ada
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,2'-((2-Amino-2-oxoethyl)azanediyl)diacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2'-((2-Amino-2-oxoethyl)azanediyl)diacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
26239-55-4
Role
alias
Source
HERB_v2
Preferred
No
Name
26239-55-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carbamoylmethylaminodiacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbamoylmethylaminodiacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00008031
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00008031
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(2-Acetamido)iminodiacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(2-Acetamido)iminodiacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Carbamoylmethyl)iminodiacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Carbamoylmethyl)iminodiacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,2'-((2-Amino-2-oxoethyl)azanediyl)diacetic acid2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid26239-55-4Carbamoylmethylaminodiacetic acidGlycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-MFCD00008031N-(2-Acetamido)iminodiacetic acidN-(Carbamoylmethyl)iminodiacetic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
25990-10-7
Herb
HBIN014668
Npass
NPC138603
Tcmsp
MOL012957
Sym Map
SMIT13672
Tcm Id
21500
Pub Chem
117765
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
Mol Wt
190.155
Cas Id
25990-10-7
Mol Log P
-2.057099999999999
Version
v1,v2
In Ch Ikey
QZTKDVCDBIDYMD-UHFFFAOYSA-N
Ob Score
60.79860.79809897
Suppress
0
Num Hdonors
3
Drug Likeness
0.443
Num Hacceptors
4
Isomeric Smiles
C(C(=O)N)N(CC(=O)O)CC(=O)O
Molecule Weight
194.16
Canonical Smiles
C(C(=O)N)N(CC(=O)O)CC(=O)O
Herb Alias Names
26239-55-4N-(2-Acetamido)iminodiacetic acid2,2'-((2-Amino-2-oxoethyl)azanediyl)diacetic acidGlycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-2,2'-[(2-amino-2-oxoethyl)imino]diacetic acidCarbamoylmethylaminodiacetic acidN-(Carbamoylmethyl)iminodiacetic acidMFCD00008031N-Carbamoylmethyliminodi(acetic acid)
Molecular Formula
C6H10N2O5
Num Rotatable Bonds
6