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
Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62831
- Core Entity Id
- 109849
- Source Entity Count
- 1
- Preferred Name
- 3-Tert-Butyladipic Acid
- Name En
- Pubchem Id
- 98967
- Smiles Canonical
- CC(C)(C)C(CCC(=O)O)CC(=O)O
- Molecular Formula
- C10H18O4
- Molecular Weight
- 202.2500
- Inchikey
- LHSCNQRBIIDZCB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Tert-Butyladipic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Tert-Butyladipic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21307
Pub Chem
98967
Itcmdb Generated
ITX-INGREDIENT-14BF204F5FE8
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C10H18O4