paldimycin - Moligand™ , CAS No.94554-99-1

CAS: 94554-99-1 Cat. No.: P612608 PubChem CID: 135889914

GRADE & PURITY Moligand™

Synonyms

U-70138 | Antibiotic 273 A | Paldimycin | UNII-H849Q7B10B | GTPL10843 | Antibiotic produced by Streptomyces organism | U-70138F | Paldimycin [USAN:INN] | H849Q7B10B | Antibiotic 273 A1 | U-70,138

Storage

Room temperature

Specifications

Sinónimos

U-70138 | Antibiotic 273 A | Paldimycin | UNII-H849Q7B10B | GTPL10843 | Antibiotic produced by Streptomyces organism | U-70138F | Paldimycin [USAN:INN] | H849Q7B10B | Antibiotic 273 A1 | U-70,138

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

• Sorrisos canónicos: CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C
• IUPAC Name: (3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid;(3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
• InChIKey: VSHJMNNDPYEUOT-ILYCIZJESA-N
• INCHI: 1S/C44H64N4O23S3.C43H62N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50;1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h16-19,23-24,26-28,31-34,36,45,53-54,63-64H,10-15H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60);15-18,22-23,25-27,30-33,35,44,52-53,62-63H,10-14H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17?,18?,19-,23-,24-,26?,27?,28?,31?,32?,33?,34?,36?,43+,44?;16?,17?,18-,22-,23-,25?,26?,27?,30?,31?,32?,33?,35?,42+,43?/m00/s1
• SMILES isoméricas: CC[C@H](C)C(=O)O[C@@H](C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C(C(C)SC[C@@H](C(=O)O)NC(=O)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)COC(=O)C)[C@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O.CC1C(C(CC(O1)OC2C(C(OC(C2OC(=O)C(C(C)SC[C@@H](C(=O)O)NC(=O)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)COC(=O)C)[C@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)OC)([C@H](C)OC(=O)C(C)C)O
• PubChem CID: 135889914

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Hexacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Hexacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexacarboxylic acids and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid esters Cysteine and derivatives Gamma-keto acids and derivatives Fatty acid esters Cyclohexenones Oxanes Monosaccharides Beta-hydroxy ketones Vinylogous acids Tertiary alcohols Dithiocarbamic acid esters Acetamides Secondary alcohols Ketimines Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Hexacarboxylic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid ester - Cysteine or derivatives - Alpha-amino acid or derivatives - Gamma-keto acid - Cyclohexenone - Fatty acid ester - Fatty acyl - Oxane - Monosaccharide - Keto acid - Beta-hydroxy ketone - Dithiocarbamic acid ester - Acetamide - Vinylogous acid - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Ketimine - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94554-99-1. InChIKey VSHJMNNDPYEUOT-ILYCIZJESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.