Molecule

Acinetoferrin

AlkaPlorer ID: AK283120

Synonym: None

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

Structure

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

InChI: InChI=1S/C28H48N4O9/c1-3-5-7-9-11-15-25(35)31(40)19-13-17-29-23(33)21-28(39,27(37)38)22-24(34)30-18-14-20-32(41)26(36)16-12-10-8-6-4-2/h11-12,15-16,39-41H,3-10,13-14,17-22H2,1-2H3,(H,29,33)(H,30,34)(H,37,38)/b15-11+,16-12+

InChIKey: ZYPXWYPUWAXTQR-JOBJLJCHSA-N

Reference

Identification and characterization of a cluster of genes involved in biosynthesis and transport of acinetoferrin, a siderophore produced by Acinetobacter haemolyticus ATCC 17906T

PubChem CID: 11813928

CAS: 156737-07-4

LOTUS: LTS0268005

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NPAtlas: NPA010195

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acinetobacter haemolyticus	Acinetobacter	Moraxellaceae	Moraxellales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 584.7110000000004

TPSA？: 203.79

MolLogP？: 3.9841000000000015

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mycobacterium avium subsp. paratuberculosis	Mycobacterium avium subsp. paratuberculosis	GI	1.0	None	10.1021/jm0104522

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT007543	CCCCC/C=C/C(=O)N(O)CCCN.CCCCC/C=C/C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)O)C(=O)O>>CCCCC/C=C/C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(=O)/C=C/CCCCC)C(=O)O	RXN-19517