Molecule

Serobactin C

AlkaPlorer ID: AK088085

Synonym: None

IUPAC Name: 4-[[(2S)-1-[[1-carboxy-1-hydroxy-3-[[(2R,3S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-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)=N[C@@H](CO)C(O)=NC(C(O)=N[C@@H](C(O)=N[C@@H](CO)C(O)=N[C@H]1CCCN(O)C1=O)[C@H](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)/t20-,21-,22-,23-,25+,26?,27?,28?,29?/m0/s1

InChIKey: NXSGPZVLHWRFIW-UPJAXRPTSA-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: 139588806

LOTUS: LTS0166677

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NPAtlas: NPA020365

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	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