1. Primary Information
| English name: | Microcystin-LR |
| CAS No.: | 101043-37-2 |
| Molecular formula: | C49H74N10O12 |
| Molecular weight: | 995.2 g/mol |
| SMILES: | CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C |
| Structural class: | |
| Other identifiers: |
cyanoginosin LR cyanoginosin-lr cyclo(2,3-didehydro-n-methylalanyl-D-alanyl-l-leucyl-erythro-3-methyl-D-beta-aspartyl-l-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-d-gamma-glutamyl) cyclo(Ala-Leu-MAsp-Arg-Adda-isoGlu-Mdha) cyclo(alanyl-leucyl-beta-methylaspartyl-arginyl-(3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid)-isoglutamyl-N-methyldehydroalanyl) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 10μg/ml in methanol | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 50ug | ≥95%(藻研) | 568 | -20℃ | in stock | - |
| Kehua Intelligence | 100ug | ≥95%(藻研) | 1040 | -20℃ | in stock | - |
| Kehua Intelligence | 250ug | ≥95%(藻研) | 1600 | -20℃ | in stock | - |
| Kehua Intelligence | 1mg | ≥95%(藻研) | 4800 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 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]-1,5,12,19-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
4.2 InChI
InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
4.3 InChIKey
ZYZCGGRZINLQBL-GWRQVWKTSA-N
4.4 Canonical SMILES
CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C
4.5 Isomeric SMILES
C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
