[D‐Asp3]MC‐LV
AlkaPlorer ID: AK066545
Synonym: None
IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-propan-2-yl-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](C(C)C)C(O)=N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(O)=N[C@@H](C(=O)O)CCC(=O)N1C
InChI: InChI=1S/C47H69N7O12/c1-25(2)21-35-44(60)52-36(47(64)65)24-38(55)53-40(26(3)4)45(61)49-33(18-17-27(5)22-28(6)37(66-11)23-32-15-13-12-14-16-32)29(7)41(57)50-34(46(62)63)19-20-39(56)54(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,25-26,28-30,33-37,40H,9,19-21,23-24H2,1-8,10-11H3,(H,48,59)(H,49,61)(H,50,57)(H,51,58)(H,52,60)(H,53,55)(H,62,63)(H,64,65)/b18-17+,27-22+/t28-,29-,30+,33-,34+,35-,36+,37-,40-/m0/s1
InChIKey: OFWRHWYXGMTEEE-CTLQKDTCSA-N
Reference
Recurrent adenylation domain replacement in the microcystin synthetase gene cluster
PubChem CID: 146684717
LOTUS: LTS0201646
{NPAtlas: NPA028687
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hapalosiphon | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 924.106
TPSA？: 299.67999999999995
MolLogP？: 7.016600000000008
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|