Polymyxin B5
AlkaPlorer ID: AK055574
Synonym: None
IUPAC Name: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]nonanamide
Structure
SMILES: CCCCCCCCC(O)=NC(CCN)C(O)=NC(C(O)=NC(CCN)C(O)=NC1CCN=C(O)C(C(C)O)N=C(O)C(CCN)N=C(O)C(CCN)N=C(O)C(CC(C)C)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CCN)N=C1O)C(C)O
InChI: InChI=1S/C56H98N16O13/c1-6-7-8-9-10-14-17-44(75)63-36(18-24-57)51(80)72-46(34(5)74)56(85)68-39(21-27-60)48(77)67-41-23-29-62-55(84)45(33(4)73)71-52(81)40(22-28-61)65-47(76)37(19-25-58)66-53(82)42(30-32(2)3)69-54(83)43(31-35-15-12-11-13-16-35)70-49(78)38(20-26-59)64-50(41)79/h11-13,15-16,32-34,36-43,45-46,73-74H,6-10,14,17-31,57-61H2,1-5H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
InChIKey: RGUCBEFVOXUBFX-UHFFFAOYSA-N
Reference
Isolation and structural characterization of polymyxin B components
PubChem CID: 73015506
LOTUS: LTS0109204
COCONUT: CNP0352010
{NPAtlas: NPA009889
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polymyxa | Plasmodiophoridae | Plasmodiophorida | Phytomyxea | Endomyxa | None | Eukaryota |
Properties Information
Molecule Weight: 1203.499
TPSA？: 529.0500000000001
MolLogP？: 4.142599999999998
Number of H-Donors: 18
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|