Cyanogenosin-RR
AlkaPlorer ID: AK002585
Synonym: None
IUPAC Name: (8S,11R,12S,15S,19R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Structure
SMILES: C=C1C(O)=NC(C)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C(=O)O)[C@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(/C=C/C(C)=C/C(C)C(CC2=CC=CC=C2)OC)[C@@H](C)C(O)=NC(C(=O)O)CCC(=O)N1C
InChI: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27?,28-,29+,30?,33?,34+,35+,36?,37?,39-/m1/s1
InChIKey: JIGDOBKZMULDHS-UUYBORPESA-N
Reference
The structure of a cyclic peptide toxin, cyanogenosin-rr from microcystis aeruginosa
PubChem CID: 139586799
LOTUS: LTS0066578
{NPAtlas: NPA013372
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1038.2179999999996
TPSA？: 423.4800000000001
MolLogP？: 4.087040000000013
Number of H-Donors: 14
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|