Imaqobactin
AlkaPlorer ID: AK113744
Synonym: None
IUPAC Name: (2R)-2-[(3S,6S,9R)-9-[[(2S)-2-[[(2S,3S,4S)-4-(dodecanoylamino)-7-[formyl(hydroxy)amino]-3-hydroxy-2-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-13-hydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-2,5,8,14-tetraoxo-1-oxa-4,7,13-triazacyclohexadec-3-yl]-2-hydroxyacetic acid
Structure
SMILES: CCCCCCCCCCCC(O)=N[C@@H](CCCN(O)C=O)[C@@H](O)[C@H](C)C(O)=N[C@@H](CO)C(O)=N[C@@H]1CCCN(O)C(=O)CC(C)OC(=O)[C@H]([C@@H](O)C(=O)O)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C41H71N7O17/c1-5-6-7-8-9-10-11-12-13-18-30(52)42-27(16-14-19-47(63)23-50)34(54)25(3)36(56)44-29(22-49)38(58)43-28-17-15-20-48(64)31(53)21-24(2)65-41(62)33(35(55)40(60)61)46-39(59)32(26(4)51)45-37(28)57/h23-29,32-35,49,51,54-55,63-64H,5-22H2,1-4H3,(H,42,52)(H,43,58)(H,44,56)(H,45,57)(H,46,59)(H,60,61)/t24?,25-,26+,27-,28+,29-,32-,33-,34-,35+/m0/s1
InChIKey: WZPRZQBNZCRJBK-JDQYVFBZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Variovorax sp. | Variovorax | Comamonadaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 934.051
TPSA？: 388.55000000000007
MolLogP？: 2.309600000000009
Number of H-Donors: 12
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|