2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid; (2R,3R)-form, 4,5-Didehydro(E-), N-(3R-hydroxy-15-methylhexadecanoyl) 

AlkaPlorer ID: AK285881

Synonym: Flavocristamide A

IUPAC Name: None

Structure

SMILES: CC(C)CCCCCCCCC/C=C/C(O)C(CS(=O)(=O)O)NC(=O)CC(O)CCCCCCCCCCCC(C)C

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InChI: InChI=1S/C34H67NO6S/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(36)27-34(38)35-32(28-42(39,40)41)33(37)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41)/b26-22+

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InChIKey: YPDRPLLLEHXCJA-XTCLZLMSSA-N

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Reference

CAS: 169217-34-9

Properties Information

Molecule Weight: 617.978

TPSA: 123.93

MolLogP: 8.141100000000009

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