Micropeptin KR1030
AlkaPlorer ID: AK306610
Synonym: None
IUPAC Name: N-[2-benzyl-21-hydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(hexanoylamino)pentanediamide
Structure
SMILES: CCCCCC(=O)NC(CCC(N)=O)C(=O)NC1C(=O)NC(CC2C=CC(O)CC2)C(=O)NC2CCC(O)N(C2=O)C(CC2=CC=CC=C2)C(=O)N(C)C(CC2=CC=C(O)C=C2)C(=O)NC(C(C)C)C(=O)OC1C
InChI: InChI=1S/C53H74N8O13/c1-6-7-9-14-43(65)55-37(23-25-42(54)64)47(67)59-46-31(4)74-53(73)45(30(2)3)58-49(69)40(28-34-17-21-36(63)22-18-34)60(5)52(72)41(29-32-12-10-8-11-13-32)61-44(66)26-24-38(51(61)71)56-48(68)39(57-50(46)70)27-33-15-19-35(62)20-16-33/h8,10-13,15,17-19,21-22,30-31,33,35,37-41,44-46,62-63,66H,6-7,9,14,16,20,23-29H2,1-5H3,(H2,54,64)(H,55,65)(H,56,68)(H,57,70)(H,58,69)(H,59,67)
InChIKey: DJXQTLGWCRRMJY-UHFFFAOYSA-N
Reference
Micropeptins from Microcystis sp. collected in Kabul Reservoir, Israel
PubChem CID: 162901849
LOTUS: LTS0092596
COCONUT: CNP0170019.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1031.2179999999998
TPSA？: 316.19999999999993
MolLogP？: 0.9021000000000144
Number of H-Donors: 9
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|