Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 8Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13775
- Core Entity Id
- 18481
- Source Entity Count
- 1
- Preferred Name
- Carnitine
- Name En
- Pubchem Id
- 288
- Smiles Canonical
- C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
- Molecular Formula
- C7H15NO3
- Molecular Weight
- 161.2010
- Inchikey
- PHIQHXFUZVPYII-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
- Isomeric Smiles
- C[N+](C)(C)CC(CC(=O)[O-])O
- Cas Id
- Ob Score
- Mol Logp
- -1.8065
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carnitine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Carnitine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Carnitine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
carnitine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxy-4-(trimethylammonio)butanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-4-(trimethylammonio)butanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-4-(trimethylazaniumyl)butanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-4-(trimethylazaniumyl)butanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
406-76-8
Role
alias
Source
HERB_v2
Preferred
No
Name
406-76-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
461-06-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
461-06-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Carnitine DL-form
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carnitine DL-form
Role
alias
Source
HERB_v2
Preferred
No
Name
Carnitine [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carnitine [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Carnitine
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Carnitine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L(-)-Carnitine
Role
alias
Source
HERB_v2
Preferred
No
Name
L(-)-Carnitine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-hydroxy-4-(trimethylammonio)butanoate3-hydroxy-4-(trimethylazaniumyl)butanoate406-76-8461-06-3Carnitine DL-formCarnitine [INN]DL-CarnitineL(-)-Carnitine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019752
Tcmid
23409
Sym Map
SMIT22832
Pub Chem
2885970
Tcmbank
TCMBANKIN033310
Itcmdb Generated
ITX-INGREDIENT-92772739062C
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients
In Ch I
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
Mol Wt
161.201
Smiles
C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
Mol Log P
-1.806499999999998
Version
v2
In Ch Ikey
PHIQHXFUZVPYII-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.494
Num Hacceptors
3
Isomeric Smiles
C[N+](C)(C)CC(CC(=O)[O-])O
Canonical Smiles
C[N+](C)(C)CC(CC(=O)[O-])O
Herb Alias Names
DL-Carnitine406-76-8L(-)-Carnitine461-06-3Carnitine DL-form3-hydroxy-4-(trimethylammonio)butanoateCarnitine [INN]3-hydroxy-4-(trimethylazaniumyl)butanoateD,L-carnitine
Molecular Weight
197.66 g/mol
Molecular Formula
C7H16ClNO3
Molecular Formula
C7H15NO3
Num Rotatable Bonds
4