Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 428
- Core Entity Id
- 3669
- Source Entity Count
- 1
- Preferred Name
- 2,3-diaminobutyric acid
- Name En
- Pubchem Id
- 5316628
- Smiles Canonical
- CC(C(C(=O)O)N)N
- Molecular Formula
- C4H10N2O2
- Molecular Weight
- 118.1360
- Inchikey
- SXGMVGOVILIERA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)
- Isomeric Smiles
- CC(C(C(=O)O)N)N
- Cas Id
- Ob Score
- Mol Logp
- -1.2545
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Diaminobutyric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3-diaminobutyric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3-diaminobutyric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-diaminobutyric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.ALPHA.,.BETA.-DIAMINOBUTYRIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Diaminobutanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Diaminobutanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-diaminobutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-diaminobutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-diaminobutyricacid
Role
alias
Source
TCMBank
Preferred
No
Name
2643-66-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2643-66-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 2,3-diamino-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanoic acid, 2,3-diamino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
C314XQL574
Role
alias
Source
HERB_v2
Preferred
No
Name
C314XQL574
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90415705
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90415705
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-C314XQL574
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-C314XQL574
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha,beta-diaminobutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.ALPHA.,.BETA.-DIAMINOBUTYRIC ACID2,3-Diaminobutanoate2,3-diaminobutanoic acid2,3-diaminobutyricacid2643-66-5Butanoic acid, 2,3-diamino-C314XQL574DTXSID90415705UNII-C314XQL574alpha,beta-diaminobutyric acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003961
Npass
NPC315349
Tcmid
308925349
Pub Chem
5316628
Tcmbank
TCMBANKIN033105
Etcm Ingredient
2,3-Diaminobutyric acid
Itcmdb Generated
ITX-INGREDIENT-56ABCD55FCE7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)
Mol Wt
118.136
Smiles
CC(C(C(=O)O)N)N
Mol Log P
-1.254499999999999
In Ch Ikey
SXGMVGOVILIERA-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.422
Num Hacceptors
3
Isomeric Smiles
CC(C(C(=O)O)N)N
Canonical Smiles
CC(C(C(=O)O)N)N
Herb Alias Names
2,3-diaminobutanoic acid2643-66-5Butanoic acid, 2,3-diamino-alpha,beta-diaminobutyric acidUNII-C314XQL574DTXSID90415705C314XQL574.ALPHA.,.BETA.-DIAMINOBUTYRIC ACID2,3-Diaminobutanoate
Molecular Weight
118.070
Molecular Weight
118.13 g/mol
Molecular Formula
C4H10N2O2
Molecular Formula
C4H10N2O2
Molecular Formula
C4H10N2O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.422