Corrugatin
AlkaPlorer ID: AK293022
Synonym: None
IUPAC Name: 2-[[2-[1-[[2-[[2-[[4-amino-2-[[2-[2-hydroxy-2-(1H-imidazol-5-yl)-1-(octanoylamino)ethyl]-1,4,5,6-tetrahydropyrimidine-6-carbonyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-2-carboxy-2-hydroxyethyl]-1,4,5,6-tetrahydropyrimidine-6-carbonyl]amino]-3-hydroxybutanedioic acid
Structure
SMILES: CCCCCCCC(O)=NC(C1=NCCC(C(O)=NC(CCN)C(O)=NC(CO)C(O)=NC(CO)C(O)=NC(C2=NCCC(C(O)=NC(C(=O)O)C(O)C(=O)O)N2)C(O)C(=O)O)N1)C(O)C1=CN=CN1
InChI: InChI=1S/C40H63N13O17/c1-2-3-4-5-6-7-24(56)51-25(28(57)21-14-42-17-45-21)31-43-12-9-19(46-31)34(61)48-18(8-11-41)33(60)49-22(15-54)36(63)50-23(16-55)37(64)52-26(29(58)39(67)68)32-44-13-10-20(47-32)35(62)53-27(38(65)66)30(59)40(69)70/h14,17-20,22-23,25-30,54-55,57-59H,2-13,15-16,41H2,1H3,(H,42,45)(H,43,46)(H,44,47)(H,48,61)(H,49,60)(H,50,63)(H,51,56)(H,52,64)(H,53,62)(H,65,66)(H,67,68)(H,69,70)
InChIKey: JFCQNHVFMJQOBK-UHFFFAOYSA-N
Reference
Corrugatin, a Lipopeptide Siderophore from Pseudomonas corrugata
PubChem CID: 163192788
CAS: 212200-71-0
LOTUS: LTS0101677
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas corrugata | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 998.0180000000004
TPSA？: 512.07
MolLogP？: -2.416000000000004
Number of H-Donors: 18
Number of H-Acceptors: 20
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|