Molecule

Sulfobacin A

AlkaPlorer ID: AK005564

Synonym: None

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

Structure

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

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)/t31-,32+,33-/m1/s1

InChIKey: IENDTBZONILTAG-XKKJXBDVSA-N

Reference

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

PubChem CID: 10438855

LOTUS: LTS0166687

SuperNatural Ⅲ: SN0143503-02

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NPAtlas: NPA003714

Source

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

Properties Information

Molecule Weight: 619.9939999999999

TPSA？: 127.42000000000002

MolLogP？: 9.205400000000004

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi