UCSF

ZINC08216082

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 17 No

Popular Name: Palmitaldehyde Palmitaldehyde

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CAS Number: 629-80-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.63 3.1 -4.57 0 1 0 17 240.431 14 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.88e-05 g/l DrugBank-experimental
UniProt Database Links ACR1_ACIAD; FACR1_ARATH; FACR1_CHICK; FACR1_DROME; FACR1_HUMAN; FACR1_MOUSE; FACR1_PONAB; FACR1_RAT; FACR1_XENLA; FACR2_ARATH; FACR2_BOVIN; FACR2_DROME; FACR2_HUMAN; FACR2_MOUSE; FACR3_ARATH; FACR3_DROME; FACR4_ARATH; FACR5_ARATH; FACR6_ARATH; FACR7_ARATH ChEBI
Reactome Database Links REACT_19349 ChEBI
Patent Database Links US2006079542; US2006280765 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Sphingolipid de novo biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )