Molecule

[D-Leu1]microcystin-LR

AlkaPlorer ID: AK036935

Synonym: None

IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(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](CC(C)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](CCCNC(=N)N)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/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1

InChIKey: PYRKYAINAPVHFV-OGPAHFFASA-N

Reference

[d-Leu1]Microcystin-LR, from the cyanobacterium Microcystis RST 9501 and from a Microcystis bloom in the Patos Lagoon estuary, Brazil

PubChem CID: 636790

LOTUS: LTS0128456

SuperNatural Ⅲ: SN0298706-02

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NPAtlas: NPA008369

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cyanobacterium	Geminocystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 1037.2699999999998

TPSA？: 361.58

MolLogP？: 6.896070000000012

Number of H-Donors: 11

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi