17)16-6/h3-5
AlkaPlorer ID: AK009385
Synonym: '17)16-6/h3-5', '11beta-OH-STX', '11?-OH-STX', 'M2', '11alpha-OH-STX', '11β-hydroxysaxitoxin', '99685-70-8', '11α-hydroxysaxitoxin', '11α-OH-STX', '11β-OH-STX', '78780-57-1'
IUPAC Name: [(3aS,4R,9R,10aS)-2,6-diamino-9,10,10-trihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Structure
SMILES: N=C1N[C@H]2[C@H](COC(=N)O)NC(=N)N3C[C@@H](O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O5/c11-6-15-5-3(2-22-8(13)19)14-7(12)17-1-4(18)10(20,21)9(5,17)16-6/h3-5,18,20-21H,1-2H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t3-,4+,5-,9-/m0/s1
InChIKey: IQOJXRIZTPZJOY-XXKOCQOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aphanizomenon flos-aquae | Aphanizomenon | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 315.29
TPSA？: 201.03
MolLogP？: -4.047789999999997
Number of H-Donors: 10
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|