IngredientID 65762
(R)-2'-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentacosan-2-yl] octadecanamide
C43H87NO5
Relationship Network
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Herb: 1Ingredient: 1Target: 3Links: 7
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65762
- Core Entity Id
- 128411
- Source Entity Count
- 1
- Preferred Name
- (R)-2'-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentacosan-2-yl] octadecanamide
- Name En
- Pubchem Id
- 129885491
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCC(C(C(C(O)O)NC(=O)CCCCCCCCCCCCCCCCC)O)O
- Molecular Formula
- C43H87NO5
- Molecular Weight
- 697.6600
- Inchikey
- QQOWPJAQKYQXHX-ODJFGNSGSA-N
- Inchi
- InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-39(45)42(47)41(43(48)49)44-40(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h39,41-43,45,47-49H,3-38H2,1-2H3,(H,44,46)/t39-,41+,42-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 16.6000
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 40
- Drug Likeness
- Polar Surface Area
- 110.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(R)-2'-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentacosan-2-yl] octadecanamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(R)-2'-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxypentacosan-2-yl] octadecanamide
Itcmdb Generated
ITX-INGREDIENT-277700222A19
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
697.660
Molecular Formula
C43H87NO5
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.032