Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 8Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10228
- Core Entity Id
- 14529
- Source Entity Count
- 1
- Preferred Name
- Alpha-amino-2-carboxycyclopropaneacetic acid
- Name En
- Pubchem Id
- 1271
- Smiles Canonical
- C1C(C1C(=O)O)C(C(=O)O)N
- Molecular Formula
- C6H9NO4
- Molecular Weight
- 159.1410
- Inchikey
- GZOVEPYOCJWRFC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)
- Isomeric Smiles
- C1C(C1C(=O)O)C(C(=O)O)N
- Cas Id
- 117857-96-2
- Ob Score
- Mol Logp
- -0.8810
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-amino-2-carboxycyclopropaneacetic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha-amino-2-carboxycyclopropaneacetic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
alpha-amino-2-carboxycyclopropaneacetic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(alpha-Carboxycyclopropyl)glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
(alpha-Carboxycyclopropyl)glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
22255-17-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
22255-17-0
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Cyclopropylglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Cyclopropylglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
CCPG
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCPG
Role
alias
Source
HERB_v2
Preferred
No
Name
L-2-(Carboxypropyl)glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-(Carboxypropyl)glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-CCG I
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-CCG I
Role
alias
Source
HERB_v2
Preferred
No
Name
L-CCG III
Role
alias
Source
HERB_v2
Preferred
No
Name
L-CCG III
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(alpha-Carboxycyclopropyl)glycine2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid22255-17-03,4-CyclopropylglutamateCCPGL-2-(Carboxypropyl)glycineL-CCG IL-CCG IIIL-trans-alpha-Amino-2-carboxycyclopropaneacetic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
117857-96-2
Herb
HBIN015356
Tcm Id
6972
Pub Chem
1271
Tcmbank
TCMBANKIN012764
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)
Mol Wt
159.141
Cas Id
117857-96-2
Smiles
C1C(C1C(=O)O)C(C(=O)O)N
Mol Log P
-0.8809999999999996
In Ch Ikey
GZOVEPYOCJWRFC-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.496
Num Hacceptors
3
Isomeric Smiles
C1C(C1C(=O)O)C(C(=O)O)N
Canonical Smiles
C1C(C1C(=O)O)C(C(=O)O)N
Herb Alias Names
CCPG22255-17-0(alpha-Carboxycyclopropyl)glycine2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid3,4-CyclopropylglutamateL-2-(Carboxypropyl)glycineL-trans-alpha-Amino-2-carboxycyclopropaneacetic acid2-(amino(carboxy)methyl)cyclopropane-1-carboxylic acidL-CCG IIIL-CCG I
Molecular Weight
159.14
Molecular Formula
C6H9NO4
Molecular Formula
C6H9NO4
Num Rotatable Bonds
3