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

AlkaPlorer ID: AK285950

Synonym: None

IUPAC Name: (E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-ene-1-sulfonic acid

Structure

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

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InChI: InChI=1S/C34H67NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b29-27+

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InChIKey: SJXHOVSBAHNRQL-ORIPQNMZSA-N

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Reference

PubChem CID: 164419280

CAS: 1222451-06-0

Source

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

Properties Information

Molecule Weight: 601.979

TPSA: 103.7

MolLogP: 9.458500000000004

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