Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 12Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16109
- Core Entity Id
- 21075
- Source Entity Count
- 1
- Preferred Name
- Dal
- Name En
- Pubchem Id
- 71080
- Smiles Canonical
- CC(C(=O)O)N
- Molecular Formula
- C3H7NO2
- Molecular Weight
- 89.0940
- Inchikey
- QNAYBMKLOCPYGJ-UWTATZPHSA-N
- Inchi
- InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
- Isomeric Smiles
- C[C@H](C(=O)O)N
- Cas Id
- 56-41-7
- Ob Score
- 85.1707
- Mol Logp
- -0.5818
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-aminopropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-aminopropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-aminopropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-aminopropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-Alanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Alanine
Role
alias
Source
HERB_v2
Preferred
No
Name
338-69-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
338-69-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Alanine, D-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alanine, D-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-2-Aminopropionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-2-Aminopropionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Ala
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Ala
Role
alias
Source
HERB_v2
Preferred
No
Name
D-alanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-alanine
Role
alias
Source
HERB_v2
Preferred
No
Name
D-alpha-Alanine
Role
alias
Source
HERB_v2
Preferred
No
Name
D-alpha-Alanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-D-Ala-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-D-Ala-OH
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-aminopropanoic acid(R)-2-aminopropanoic acid(R)-Alanine338-69-2Alanine, D-D-2-Aminopropionic acidD-AlaD-alanineD-alpha-AlanineH-D-Ala-OH
Cross References
Trusted external identifiers retained for this final record.
Cas
56-41-7
Herb
HBIN022584
Tcmsp
MOL004739
Sym Map
SMIT06599
Pub Chem
71080
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
Mol Wt
89.09400000000001
Cas Id
56-41-7
Mol Log P
-0.5817999999999999
Version
v1,v2
In Ch Ikey
QNAYBMKLOCPYGJ-UWTATZPHSA-N
Ob Score
85.1706575285.171
Suppress
0
Num Hdonors
2
Drug Likeness
0.451
Num Hacceptors
2
Isomeric Smiles
C[C@H](C(=O)O)N
Molecule Weight
89.11
Canonical Smiles
CC(C(=O)O)N
Herb Alias Names
D-alanine338-69-2(2R)-2-aminopropanoic acidH-D-Ala-OH(R)-AlanineD-2-Aminopropionic acidD-Ala(R)-2-aminopropanoic acidD-alpha-AlanineAlanine, D-
Molecular Formula
C3H7NO2
Num Rotatable Bonds
1