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

AlkaPlorer ID: AK287492

Synonym: Leucoceramide B

IUPAC Name: 2-hydroxy-N-[(E)-1,3,4-trihydroxytetradec-8-en-2-yl]henicosanamide

Structure

SMILES: CCCCC/C=C/CCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C35H69NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-33(39)35(41)36-31(30-37)34(40)32(38)28-26-24-22-12-10-8-6-4-2/h12,22,31-34,37-40H,3-11,13-21,23-30H2,1-2H3,(H,36,41)/b22-12+

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InChIKey: RYVRPTJITKEGMT-WSDLNYQXSA-N

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Reference

PubChem CID: 138257874

CAS: 903583-00-6

Source

Properties Information

Molecule Weight: 583.9390000000003

TPSA: 110.02

MolLogP: 7.894700000000009

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information