Ngercheumicin A; 4''',5'''-Dihydro
AlkaPlorer ID: AK083914
Synonym: Ngercheumicin B
IUPAC Name: 3-hydroxy-N-[1-[[9-(1-hydroxyethyl)-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]dodecanamide
Structure
SMILES: CCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C
InChI: InChI=1S/C41H74N6O11/c1-10-11-12-13-14-15-16-17-28(50)21-33(51)42-29(18-23(2)3)37(53)47-35-27(9)58-41(57)31(20-25(6)7)44-36(52)30(19-24(4)5)43-39(55)34(26(8)49)46-38(54)32(22-48)45-40(35)56/h23-32,34-35,48-50H,10-22H2,1-9H3,(H,42,51)(H,43,55)(H,44,52)(H,45,56)(H,46,54)(H,47,53)
InChIKey: PBKSSRQLBPVYKG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Photobacterium sp. | Photobacterium | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 827.074
TPSA？: 261.59
MolLogP？: 1.2436000000000105
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|