[Mdha-GSH7]MC-YR (CHEM120701)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:41:28 UTC | ||||||||
| Update Date | 2026-05-21 08:57:40 UTC | ||||||||
| Accession Number | CHEM120701 | ||||||||
| Identification | |||||||||
| Common Name | [Mdha-GSH7]MC-YR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C62H89N13O19S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1351.612 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-2-((((R)-2-((S)-4-amino-4-carboxybutanamido)-3-((carboxymethyl)amino)-3-oxopropyl)thio)methyl)-15-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C62H89N13O19S/c1-32(26-33(2)47(94-7)28-37-12-9-8-10-13-37)15-21-41-34(3)52(81)72-43(60(90)91)22-24-49(78)75(6)46(31-95-30-45(55(84)67-29-50(79)80)69-48(77)23-20-40(63)59(88)89)58(87)68-36(5)54(83)73-44(27-38-16-18-39(76)19-17-38)57(86)74-51(61(92)93)35(4)53(82)71-42(56(85)70-41)14-11-25-66-62(64)65/h8-10,12-13,15-19,21,26,33-36,40-47,51,76H,11,14,20,22-25,27-31,63H2,1-7H3,(H,67,84)(H,68,87)(H,69,77)(H,70,85)(H,71,82)(H,72,81)(H,73,83)(H,74,86)(H,79,80)(H,88,89)(H,90,91)(H,92,93)(H4,64,65,66)/b21-15+,32-26+/t33-,34-,35-,36+,40-,41-,42-,43+,44-,45-,46?,47-,51+/m0/s1 | ||||||||
| InChI Key | CKZRRTHAVWEPNI-ZXQDSRFFSA-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 | ||||||||
