Molecule

Sulfobacin B

AlkaPlorer ID: AK045311

Synonym: None

IUPAC Name: (2R,3R)-3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulfonic acid

Structure

SMILES: CC(C)CCCCCCCCCCCC(O)=N[C@@H](CS(=O)(=O)O)[C@H](O)CCCCCCCCCCCC(C)C

InChI: InChI=1S/C32H65NO5S/c1-28(2)23-19-15-11-7-5-9-13-17-21-25-31(34)30(27-39(36,37)38)33-32(35)26-22-18-14-10-6-8-12-16-20-24-29(3)4/h28-31,34H,5-27H2,1-4H3,(H,33,35)(H,36,37,38)/t30-,31+/m0/s1

InChIKey: JICKJYGLSKDGIC-IOWSJCHKSA-N

Reference

Sulfobacins A and B, Novel von Willebrand Factor Receptor Antagonists. I. Production, Isolation, Characterization and Biological Activities.

PubChem CID: 10008322

LOTUS: LTS0129150

SuperNatural Ⅲ: SN0166111-02

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NPAtlas: NPA009842

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chryseobacterium sp.	Chryseobacterium	Weeksellaceae	Flavobacteriales	Flavobacteriia	Bacteroidota	None	Bacteria

Properties Information

Molecule Weight: 575.9410000000003

TPSA？: 107.19

MolLogP？: 9.4544

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi