Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27645
- Core Entity Id
- 33912
- Source Entity Count
- 1
- Preferred Name
- (s)-2-aminobutanoate
- Name En
- Pubchem Id
- 6857370
- Smiles Canonical
- CCC(C(=O)O)N
- Molecular Formula
- C4H9NO2
- Molecular Weight
- 103.1210
- Inchikey
- QWCKQJZIFLGMSD-VKHMYHEASA-N
- Inchi
- InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
- Isomeric Smiles
- CC[C@@H](C(=O)O)N
- Cas Id
- 80-60-4
- Ob Score
- 61.3366
- Mol Logp
- -0.1917
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-2-Aminobutanoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(S)-2-Aminobutanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-2-Aminobutanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(s)-2-aminobutanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(s)-2-aminobutanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-2-Aminobutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-aminobutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-aminobutanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-aminobutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-aminobutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(+)-2-Aminobutyric Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(+)-2-Aminobutyric Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Aminobutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Aminobutanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Aminobutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Aminobutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
1492-24-6
Role
alias
Source
HERB_v2
Preferred
No
Name
1492-24-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2S-amino-butanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
A1879_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
A2536_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Butanoic acid, 2-amino-, (2S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanoic acid, 2-amino-, (2S)-
Role
alias
Source
TCMBank
Preferred
No
Name
Butanoic acid, 2-amino-, (2S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 2-amino-, (S)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Butyric acid, 2-amino-, L- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
C02356
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35619
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 216-083-3
Role
alias
Source
TCMBank
Preferred
No
Name
L-(+)-2-aminobutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-(+)-2-aminobutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-Aminobuttersaeure
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-Aminobutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Butyrine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Butyrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-alpha-Amino-n-butyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-alpha-Aminobutyrate
Role
alias
Source
TCMBank
Preferred
No
Name
L-alpha-Aminobutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-alpha-Aminobutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-alpha-Aminobutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01100034
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 97060
Role
alias
Source
TCMBank
Preferred
No
Name
h-abu-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
h-abu-oh
Role
alias
Source
HERB_v2
Preferred
No
Name
nchembio856-comp2
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-2-Aminobutyric acid(2S)-2-aminobutanoic acid(2S)-2-aminobutyric acid(S)-(+)-2-Aminobutyric Acid(S)-2-Aminobutanoic acid(S)-2-Aminobutyric acid1492-24-62S-amino-butanoic acidA1879_SIGMAA2536_SIGMAButanoic acid, 2-amino-, (2S)-Butanoic acid, 2-amino-, (S)- (9CI)Butyric acid, 2-amino-, L- (8CI)C02356CHEBI:35619EINECS 216-083-3L-(+)-2-aminobutyric acidL-2-AminobuttersaeureL-2-Aminobutyric acidL-ButyrineL-alpha-Amino-n-butyric acidL-alpha-AminobutyrateL-alpha-Aminobutyric acidLMFA01100034NSC 97060h-abu-ohnchembio856-comp2
Cross References
Trusted external identifiers retained for this final record.
Cas
80-60-4
Herb
HBIN042693
Tcmsp
MOL007458
Sym Map
SMIT08890
Pub Chem
6857370697125280283
Tcmbank
TCMBANKIN029853
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Mol Wt
103.121
Cas Id
80-60-4
Smiles
CCC(C(=O)O)N
Mol Log P
-0.1916999999999999
Version
v1,v2
In Ch Ikey
QWCKQJZIFLGMSD-VKHMYHEASA-N
Ob Score
61.3366425761.33664361.337
Suppress
0
Num Hdonors
2
Drug Likeness
0.509
Num Hacceptors
2
Isomeric Smiles
CC[C@@H](C(=O)O)N
Molecule Weight
103.14
Canonical Smiles
CCC(C(=O)O)N
Herb Alias Names
1492-24-6L-2-Aminobutyric acid(S)-2-Aminobutanoic acid(2S)-2-aminobutanoic acidh-abu-ohL-alpha-Aminobutyric acidButanoic acid, 2-amino-, (2S)-L-Butyrine(S)-(+)-2-Aminobutyric AcidL-(+)-2-aminobutyric acid
Molecular Weight
103.12
Molecular Formula
C4H9NO2
Molecular Formula
C4H9NO2
Num Rotatable Bonds
2