Staphyloferrin A

AlkaPlorer ID: AK089955

Synonym: None

IUPAC Name: 2-[2-[[(4R)-4-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid

Structure

SMILES: O=C(O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O)C(=O)O

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InChI: InChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t8-,16?,17?/m1/s1

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InChIKey: VJSIXUQLTJCRCS-PJPOUAMNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Staphylococcus aureus Staphylococcus Staphylococcaceae Bacillales Bacilli Bacillota None Bacteria

Properties Information

Molecule Weight: 480.37900000000025

TPSA: 285.16

MolLogP: -3.1867999999999945

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT022721 O=C(O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O MNXR162785
AKRT022722 O=C(O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O)C(=O)O>>O=C(O)CC(O)(CC(=O)O)C(=O)O MNXR162785