2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid; (2R,3R)-form, N-(2R-Hydroxy-13-methyltetradecanoyl) 

AlkaPlorer ID: AK285884

Synonym: Sulfobacin D

IUPAC Name: 3-hydroxy-2-[(2-hydroxy-13-methyltetradecanoyl)amino]-15-methylhexadecane-1-sulfonic acid

Structure

SMILES: CC(C)CCCCCCCCCCCC(O)C(CS(=O)(=O)O)NC(=O)C(O)CCCCCCCCCCC(C)C

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InChI: InChI=1S/C32H65NO6S/c1-27(2)22-18-14-10-6-5-7-12-16-20-24-30(34)29(26-40(37,38)39)33-32(36)31(35)25-21-17-13-9-8-11-15-19-23-28(3)4/h27-31,34-35H,5-26H2,1-4H3,(H,33,36)(H,37,38,39)

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InChIKey: AHZCTXGWHDNCCQ-UHFFFAOYSA-N

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Reference

PubChem CID: 163063836

COCONUT: CNP0354331.1

Source

Properties Information

Molecule Weight: 591.94

TPSA: 123.93

MolLogP: 7.584900000000008

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information