(ADMAdda5)microcystin-LHar
AlkaPlorer ID: AK059915
Synonym: None
IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-1,5,12,19-tetramethyl-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)[C@H](C)C(O)=N[C@@H](CCCCNC(=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/C51H76N10O13/c1-27(2)24-39-48(69)60-42(50(72)73)31(6)44(65)57-37(18-14-15-23-54-51(52)53)47(68)56-36(20-19-28(3)25-29(4)40(74-34(9)62)26-35-16-12-11-13-17-35)30(5)43(64)58-38(49(70)71)21-22-41(63)61(10)33(8)46(67)55-32(7)45(66)59-39/h11-13,16-17,19-20,25,27,29-32,36-40,42H,8,14-15,18,21-24,26H2,1-7,9-10H3,(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-19+,28-25+/t29-,30-,31-,32+,36-,37-,38+,39-,40-,42+/m0/s1
InChIKey: HSOIUAGRQAPKJZ-PMZUZRGZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nostoc sp. | Nostoc | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1037.226
TPSA？: 378.65
MolLogP？: 6.176670000000011
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|