Molecule

Schizokinen

AlkaPlorer ID: AK046346

Synonym: None

IUPAC Name: 4-[3-[acetyl(hydroxy)amino]propylamino]-2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid

Structure

SMILES: CC(=O)N(O)CCCN=C(O)CC(O)(CC(O)=NCCCN(O)C(C)=O)C(=O)O

InChI: InChI=1S/C16H28N4O9/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22/h27-29H,3-10H2,1-2H3,(H,17,23)(H,18,24)(H,25,26)

InChIKey: YILWWVUXGMGOAM-UHFFFAOYSA-N

Reference

Structure of schizokinen, An iron-transport compound from Bacillus megaterium

PubChem CID: 3082425

CAS: 35418-52-1

LOTUS: LTS0017225

SuperNatural Ⅲ: SN0451330

NPASS: NPC134900

COCONUT: CNP0326188

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NPAtlas: NPA027582

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bacillus	Bacillidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Anabaena sp.	Anabaena	Nostocaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
None	Rhizobium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 420.4190000000002

TPSA？: 203.79

MolLogP？: -0.2490999999999979

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli	Escherichia coli	Inhibitory diameter	25.0	mM	10.1021/jm00381a010
Escherichia coli	Escherichia coli	Inhibitory diameter	nan	None	10.1021/jm00381a010

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002283	CC(=O)N(O)CCCN.CC(=O)N(O)CCCN.O=C(O)CC(O)(CC(=O)O)C(=O)O>>CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O	MNXR176925
AKRT002284	CC(=O)N(O)CCCN.CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)O)C(=O)O>>CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O	RXN-19518
AKRT002286	CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O.CCCCCCCC(=O)O>>CCCCCCC/C=C/C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O	RXN-685