2-Amino-8-octadecene-1,3,4-triol; (2S,3S,4R,8E)-form, N-Docosanoyl 

AlkaPlorer ID: AK286884

Synonym: None

IUPAC Name: N-[(E)-1,3,4-trihydroxyoctadec-8-en-2-yl]docosanamide

Structure

SMILES: CCCCCCCCC/C=C/CCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,37-38,40,42-43,45H,3-25,27,29-36H2,1-2H3,(H,41,44)/b28-26+

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InChIKey: NKJMWDBSQFISEX-BYCLXTJYSA-N

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Reference

PubChem CID: 14757367

CAS: 1101199-08-9

Source

Properties Information

Molecule Weight: 638.075

TPSA: 89.78999999999999

MolLogP: 10.874399999999994

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information