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

AlkaPlorer ID: AK286887

Synonym: None

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

Structure

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

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InChI: InChI=1S/C45H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-44(49)46-42(41-47)45(50)43(48)39-37-35-33-31-29-16-14-12-10-8-6-4-2/h31,33,42-43,45,47-48,50H,3-30,32,34-41H2,1-2H3,(H,46,49)/b33-31+

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InChIKey: XXTIFFJQHWKHIV-QOSDPKFLSA-N

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Reference

PubChem CID: 138301519

CAS: 1101199-13-6

Properties Information

Molecule Weight: 708.2099999999997

TPSA: 89.78999999999999

MolLogP: 12.824899999999982

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