5-Hydroxymethylblasticidin S
AlkaPlorer ID: AK036718
Synonym: 'Blasticidin S, 5-hydroxymethyl'
IUPAC Name: (2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
Structure
SMILES: CN(CC[C@H](N)CC(O)=N[C@H]1C=CC(N2C=C(CO)C(=N)N=C2O)O[C@@H]1C(=O)O)C(=N)N
InChI: InChI=1S/C18H28N8O6/c1-25(17(21)22)5-4-10(19)6-12(28)23-11-2-3-13(32-14(11)16(29)30)26-7-9(8-27)15(20)24-18(26)31/h2-3,7,10-11,13-14,27H,4-6,8,19H2,1H3,(H3,21,22)(H,23,28)(H,29,30)(H2,20,24,31)/t10-,11-,13?,14-/m0/s1
InChIKey: MDTSQXWUAJPTCD-YOKAQCHCSA-N
Reference
5-Hydroxymethylblasticidin S and blasticidin S from Streptomyces setonii culture A83094.
PubChem CID: 195379
CAS: 123067-52-7
LOTUS: LTS0197327
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 452.4720000000002
TPSA？: 240.38
MolLogP？: -1.6434599999999966
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|