2-Amino-3-hydroxy-4-octadecene-1-sulfonic acid; (2S,3R,4E)-form, N-Tetradecanoyl 

AlkaPlorer ID: AK285952

Synonym: 1-Deoxydihydroceramide-1-sulfonic acid

IUPAC Name: (E)-3-hydroxy-2-(tetradecanoylamino)octadec-4-ene-1-sulfonic acid

Structure

SMILES: CCCCCCCCCCCCC/C=C/C(O)C(CS(=O)(=O)O)NC(=O)CCCCCCCCCCCCC

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InChI: InChI=1S/C32H63NO5S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(34)30(29-39(36,37)38)33-32(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34H,3-24,26,28-29H2,1-2H3,(H,33,35)(H,36,37,38)/b27-25+

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InChIKey: ZDDRTKNXOLODNW-IMVLJIQESA-N

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Reference

PubChem CID: 164498888

CAS: 1222426-61-0

Source

Species Genus Family Order Class Phylum Kingdom Domain
Nitzschia alba Nitzschia Bacillariaceae Bacillariales Bacillariophyceae Bacillariophyta None Eukaryota

Properties Information

Molecule Weight: 573.9250000000002

TPSA: 103.7

MolLogP: 8.678300000000005

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information