[Dm(1)Adda5]MC-(H4)YR (isomer 2) (CHEM120714)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:42:09 UTC | ||||||||
| Update Date | 2026-05-21 08:58:44 UTC | ||||||||
| Accession Number | CHEM120714 | ||||||||
| Identification | |||||||||
| Common Name | [Dm(1)Adda5]MC-(H4)YR (isomer 2) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C51H74N10O13 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1034.544 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-5-methyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-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/C51H74N10O13/c1-28(40(74-7)27-33-15-9-8-10-16-33)14-11-12-17-36-29(2)43(64)58-38(49(70)71)23-24-41(63)61(6)32(5)46(67)55-31(4)45(66)59-39(26-34-19-21-35(62)22-20-34)48(69)60-42(50(72)73)30(3)44(65)57-37(47(68)56-36)18-13-25-54-51(52)53/h8-12,14-17,19,21,28-31,34-40,42,62H,5,13,18,20,22-27H2,1-4,6-7H3,(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b14-11+,17-12+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1 | ||||||||
| InChI Key | UHJPJYAHOVURPB-AGUNYHBDSA-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | ||||||||
