Molecule

Alcaligin; 8,18-Dideoxy

AlkaPlorer ID: AK015561

Synonym: 1,11-Dihydroxy-1,6,11,16-tetraazacycloeicosane-2,5,12,15-tetrone, Putrebactin

IUPAC Name: 1,11-dihydroxy-1,6,11,16-tetrazacycloicosane-2,5,12,15-tetrone

SMILES: O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1

InChI: InChI=1S/C16H28N4O6/c21-13-5-7-16(24)20(26)12-4-2-10-18-14(22)6-8-15(23)19(25)11-3-1-9-17-13/h25-26H,1-12H2,(H,17,21)(H,18,22)

InChIKey: ONQBBCUWASUJGE-UHFFFAOYSA-N

PubChem CID: 16654915

COCONUT: CNP0134345

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Shewanella putrefaciens	Shewanella	Shewanellaceae	Alteromonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Shewanella algae	Shewanella	Shewanellaceae	Alteromonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 372.4220000000001

TPSA？: 139.28

MolLogP？: -0.2111999999999989

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT017962	NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O>>O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1	RXN-11009