Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72524
- Core Entity Id
- 135173
- Source Entity Count
- 1
- Preferred Name
- Hexadecanoic acid-1-13C
- Name En
- Pubchem Id
- 9881577
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C16H32O2
- Molecular Weight
- 257.2400
- Inchikey
- IPCSVZSSVZVIGE-LOYIAQTISA-N
- Inchi
- InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.4000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hexadecanoic acid-1-13C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Hexadecanoic acid-1-13C
Itcmdb Generated
ITX-INGREDIENT-FCC8370737CE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
257.240
Molecular Formula
C16H32O2
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.327