Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 04:38:48 UTC
Update Date2022-08-31 06:35:55 UTC
Metabolite IDMMDBc0013317
Metabolite Identification
Common NameStaphyloferrin B
Descriptionstaphyloferrin B belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. staphyloferrin B is a very strong basic compound (based on its pKa). A siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and alpha-ketoglutaric acid units.
Structure
SynonymsNot Available
Molecular FormulaC16H24N4O11
Average Mass448.382
Monoisotopic Mass448.14415763
IUPAC Name4-[(2-{[(3S)-3-({[(2S)-2-amino-2-carboxyethyl]-C-hydroxycarbonimidoyl}methyl)-3-carboxy-1,3-dihydroxypropylidene]amino}ethyl)-C-hydroxycarbonimidoyl]-2-oxobutanoic acid
Traditional Name4-[(2-{[(3S)-3-({[(2S)-2-amino-2-carboxyethyl]-C-hydroxycarbonimidoyl}methyl)-3-carboxy-1,3-dihydroxypropylidene]amino}ethyl)-C-hydroxycarbonimidoyl]-2-oxobutanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CN=C(O)C[C@@](O)(CC(O)=NCCN=C(O)CCC(=O)C(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1
InChI KeySIAZVTIHOHTZDD-PWJLMRLQSA-N