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

AlkaPlorer ID: AK285883

Synonym: Flavocristamide B, Sulfobacin A

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

Structure

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

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InChI: InChI=1S/C34H69NO6S/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/h29-33,36-37H,5-28H2,1-4H3,(H,35,38)(H,39,40,41)

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InChIKey: IENDTBZONILTAG-UHFFFAOYSA-N

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Reference

PubChem CID: 74025018

CAS: 169217-35-0

COCONUT: CNP0332754.2

Properties Information

Molecule Weight: 619.9939999999999

TPSA: 123.93

MolLogP: 8.365100000000007

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