Cichofactin A
AlkaPlorer ID: AK015933
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CCCCCCCC(O)CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(=O)O)C(C)C
InChI: InChI=1S/C55H100N10O13/c1-14-15-16-17-18-19-36(66)29-46(69)58-39(24-30(2)3)50(72)62-41(26-32(6)7)52(74)59-37(20-22-44(56)67)48(70)61-40(25-31(4)5)51(73)60-38(21-23-45(57)68)49(71)65-47(35(12)13)54(76)63-42(27-33(8)9)53(75)64-43(55(77)78)28-34(10)11/h30-43,47,66H,14-29H2,1-13H3,(H2,56,67)(H2,57,68)(H,58,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,76)(H,64,75)(H,65,71)(H,77,78)/t36?,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
InChIKey: CLQUREOEOAUALG-KGOGKQBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1109.4619999999995
TPSA？: 406.41
MolLogP？: 11.300739999999994
Number of H-Donors: 14
Number of H-Acceptors: 12
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|