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

AlkaPlorer ID: AK286902

Synonym: None

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

Structure

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

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InChI: InChI=1S/C46H91NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-45(50)47-43(42-48)46(51)44(49)40-38-36-34-32-30-16-14-12-10-8-6-4-2/h32,34,43-44,46,48-49,51H,3-31,33,35-42H2,1-2H3,(H,47,50)/b34-32+

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InChIKey: NVBBAMVJHCDGKJ-NWBJSICCSA-N

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Reference

PubChem CID: 138223023

CAS: 1101199-14-7

Source

Properties Information

Molecule Weight: 722.2369999999996

TPSA: 89.78999999999999

MolLogP: 13.21499999999998

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