[Seco‐1/2]MC‐LR (CHEM120462)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:25:23 UTC | ||||||||
| Update Date | 2026-05-21 08:26:31 UTC | ||||||||
| Accession Number | CHEM120462 | ||||||||
| Identification | |||||||||
| Common Name | [Seco‐1/2]MC‐LR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C49H76N10O13 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1012.559 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N2-((2S,3S,4E,6E,8S,9S)-3-((S)-2-((2S,3R)-3-((S)-2-amino-4-methylpentanamido)-3-carboxy-2-methylpropanamido)-5-guanidinopentanamido)-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl)-N5-(3-(((R)-1-carboxyethyl)amino)-3-oxoprop-1-en-2-yl)-N5-methyl-D-glutamine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C49H76N10O13/c1-26(2)23-34(50)44(64)58-40(48(70)71)30(6)42(62)56-36(17-14-22-53-49(51)52)45(65)55-35(19-18-27(3)24-28(4)38(72-10)25-33-15-12-11-13-16-33)29(5)41(61)57-37(47(68)69)20-21-39(60)59(9)32(8)43(63)54-31(7)46(66)67/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25,50H2,1-7,9-10H3,(H,54,63)(H,55,65)(H,56,62)(H,57,61)(H,58,64)(H,66,67)(H,68,69)(H,70,71)(H4,51,52,53)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37+,38-,40+/m0/s1 | ||||||||
| InChI Key | IENVPMAERSWHAY-RNJNOEPSSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
