Molecule

Serobactin A; N-Deacyl, N-tetradecanoyl

AlkaPlorer ID: AK313412

Synonym: Serobactin C

IUPAC Name: 4-[[1-[[1-carboxy-1-hydroxy-3-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-(tetradecanoylamino)butanoic acid

Structure

SMILES: CCCCCCCCCCCCCC(O)=NC(C(O)=NC(CO)C(O)=NC(C(O)=NC(C(O)=NC(CO)C(O)=NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O

InChI: InChI=1S/C37H63N7O17/c1-3-4-5-6-7-8-9-10-11-12-13-16-24(48)41-26(28(49)36(57)58)33(54)40-23(19-46)31(52)43-27(29(50)37(59)60)34(55)42-25(20(2)47)32(53)39-22(18-45)30(51)38-21-15-14-17-44(61)35(21)56/h20-23,25-29,45-47,49-50,61H,3-19H2,1-2H3,(H,38,51)(H,39,53)(H,40,54)(H,41,48)(H,42,55)(H,43,52)(H,57,58)(H,59,60)

InChIKey: NXSGPZVLHWRFIW-UHFFFAOYSA-N

Reference

Identification and structural characterization of serobactins, a suite of lipopeptide siderophores produced by the grass endophyte <i><scp>H</scp>erbaspirillum seropedicae</i>

PubChem CID: 162816482

LOTUS: LTS0225151

COCONUT: CNP0073829.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Herbaspirillum seropedicae	Herbaspirillum	Oxalobacteraceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 877.9430000000002

TPSA？: 411.8300000000001

MolLogP？: 0.9061000000000085

Number of H-Donors: 14

Number of H-Acceptors: 15

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi