Relationship Network
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25295
- Core Entity Id
- 31308
- Source Entity Count
- 1
- Preferred Name
- Lysopine
- Name En
- Pubchem Id
- 193187
- Smiles Canonical
- CC(C(=O)O)NC(CCCCN)C(=O)O
- Molecular Formula
- C9H18N2O4
- Molecular Weight
- 218.2530
- Inchikey
- ZZYYVZYAZCMNPG-RQJHMYQMSA-N
- Inchi
- InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
- Isomeric Smiles
- C[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3687
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lysopine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lysopine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lysopine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lysopine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
lysopine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-6-amino-2-[[(1R)-1-carboxyethyl]amino]hexanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-6-amino-2-[[(1R)-1-carboxyethyl]amino]hexanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-N(2)-(1-Carboxyethyl)-L-lysine
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-N(2)-(1-Carboxyethyl)-L-lysine
Role
alias
Source
itcmdb_public
Preferred
No
Name
34522-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
34522-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:17213
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:17213
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Lysopine
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Lysopine
Role
alias
Source
HERB_v2
Preferred
No
Name
N(2)-[(1R)-1-carboxyethyl]-L-lysine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N(2)-[(1R)-1-carboxyethyl]-L-lysine
Role
alias
Source
HERB_v2
Preferred
No
Name
N2-(D-1-Carboxyethyl)-L-lysine
Role
alias
Source
HERB_v2
Preferred
No
Name
N2-(D-1-Carboxyethyl)-L-lysine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-6-amino-2-[[(1R)-1-carboxyethyl]amino]hexanoic acid(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoate(R)-N(2)-(1-Carboxyethyl)-L-lysine34522-31-1CHEBI:17213D-LysopineN(2)-[(1R)-1-carboxyethyl]-L-lysineN2-(D-1-Carboxyethyl)-L-lysine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034057
Tcmid
13259
Sym Map
SMIT25214
Pub Chem
193187
Tcmbank
TCMBANKIN026277
Etcm Ingredient
Lysopine
Itcmdb Generated
ITX-INGREDIENT-D8F21389D1E9ITX-INGREDIENT-F3E1AAE4B9CD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
Mol Wt
218.253
Smiles
CC(C(=O)O)NC(CCCCN)C(=O)O
Mol Log P
-0.3686999999999996
Version
v2
In Ch Ikey
ZZYYVZYAZCMNPG-RQJHMYQMSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.413
Num Hacceptors
4
Isomeric Smiles
C[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)O
Canonical Smiles
CC(C(=O)O)NC(CCCCN)C(=O)O
Herb Alias Names
D-Lysopine34522-31-1(R)-N(2)-(1-Carboxyethyl)-L-lysineN2-(D-1-Carboxyethyl)-L-lysineN(2)-(D-1-carboxyethyl)-L-lysine(2S)-6-amino-2-[[(1R)-1-carboxyethyl]amino]hexanoic acidN(2)-[(1R)-1-carboxyethyl]-L-lysine(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoateCHEBI:17213
Molecular Weight
218.130
Molecular Weight
218.25 g/mol
Molecular Formula
C9H18N2O4
Molecular Formula
C9H18N2O4
Molecular Formula
C9H18N2O4
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.413