(D-Asp3,ADMAdda5)microcystin-LR
AlkaPlorer ID: AK059909
Synonym: None
IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[3-(diaminomethylideneamino)propyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-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)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(C)=O)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C
InChI: InChI=1S/C49H72N10O13/c1-26(2)22-37-46(67)58-38(48(70)71)25-40(61)54-35(16-13-21-52-49(50)51)45(66)55-34(18-17-27(3)23-28(4)39(72-32(8)60)24-33-14-11-10-12-15-33)29(5)42(63)56-36(47(68)69)19-20-41(62)59(9)31(7)44(65)53-30(6)43(64)57-37/h10-12,14-15,17-18,23,26,28-30,34-39H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,53,65)(H,54,61)(H,55,66)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)(H4,50,51,52)/b18-17+,27-23+/t28-,29-,30+,34-,35-,36+,37-,38+,39-/m0/s1
InChIKey: PLFFZWBHDRTEHV-VLVYYTPOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nostoc sp. | Nostoc | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1009.172
TPSA？: 360.21
MolLogP？: 0.2890999999999988
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|