Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65414
- Core Entity Id
- 128063
- Source Entity Count
- 1
- Preferred Name
- (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
- Name En
- Pubchem Id
- 128869
- Smiles Canonical
- C(C(C(C(C(C(=O)O)O)O)O)O)O
- Molecular Formula
- C6H12O7
- Molecular Weight
- 196.0600
- Inchikey
- RGHNJXZEOKUKBD-MGCNEYSASA-N
- Inchi
- InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.4000
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 138.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Itcmdb Generated
ITX-INGREDIENT-28A6816620F9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
196.060
Molecular Formula
C6H12O7
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.246