enterobactin
AlkaPlorer ID: AK016333
Synonym: 'enterobactin', '', 'Enterochelin', "(3S-(3R*,7R*,11R*))-N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)", 'Enterobactin', 'Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester', 'Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester', 'H6ent'
IUPAC Name: N-[(3S,7S,11R)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
Structure
SMILES: O=C(N[C@H]1COC(=O)[C@@H](NC(=O)C2=CC=CC(O)=C2O)COC(=O)[C@H](NC(=O)C2=CC=CC(O)=C2O)COC1=O)C1=C(O)C(O)=CC=C1
InChI: InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18+/m0/s1
InChIKey: SERBHKJMVBATSJ-OKZBNKHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnia pulex | Daphnia | Daphniidae | Diplostraca | Branchiopoda | Arthropoda | Metazoa | Eukaryota |
| Monarda fistulosa | Monarda | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 669.5520000000002
TPSA？: 287.58
MolLogP？: -0.7410000000000008
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|