Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63613
- Core Entity Id
- 110631
- Source Entity Count
- 1
- Preferred Name
- Eicosapentaenoic Acid
- Name En
- Pubchem Id
- 5282847
- Smiles Canonical
- CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
- Molecular Formula
- C20H30O2
- Molecular Weight
- 302.2200
- Inchikey
- JAZBEHYOTPTENJ-RCHUDCCISA-N
- Inchi
- InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+,13-12+,16-15+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eicosapentaenoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eicosapentaenoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23721
Etcm Ingredient
Eicosapentaenoic acid
Itcmdb Generated
ITX-INGREDIENT-4F13FACC606A
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
302.220
Molecule Formula
C20H30O2
Molecular Formula
C20H30O2
Fda Maximum Daily Dose (Fdamdd)
0.429
Quantitative Estimate Of Drug Likeness（Qed）
0.335