aclarubicin
keemiline ühend
üksikjuht nähtusest
type of chemical entity
mille alamklass
methyl (1R,2R,4S)-4-[(2R,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate[11]
kasutus
mass/kaal
811,341519996 aatommassiühik[11]
stereoisomer of
Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxy late[6]
chemical formula
C₄₂H₅₃NO₁₅[8]
canonical SMILES
CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O[8]
isomeric SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C5=C(C=C6C(=O)C7=C(C(O)=CC=C7)C(=O)C6=C5O)[C@H]1C(=O)OC[1]
NCI Thesaurus ID
C202[1]
Viited
- ↑ 1,0 1,1 1,2 1,3 1,4 1,5 1,6 Global Substance Registration System, 14. veebruar 2018, 74KXF8I502
- ↑ CAS Common Chemistry, 10. aprill 2021, USZYSDMBJDPRIF-SVEJIMAYSA-N, https://commonchemistry.cas.org/detail?cas_rn=57576-44-0
- ↑ 3,0 3,1 3,2 3,3 3,4 3,5 3,6 USZYSDMBJDPRIF-SVEJIMAYSA-N, InChIKey
- ↑ UniChem
- ↑ OpenAlex, 26. jaanuar 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
- ↑ 6,0 6,1 6,2 inferred from InChIKey
- ↑ ChEBI release 2020-09-01
- ↑ 8,0 8,1 8,2 PubChem
- ↑ ECHA Substance Infocard database, 27. detsember 2018, 100.055.277, Aclarubicin, CAS no.: 57576-44-0
- ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
- ↑ 11,0 11,1 inferred from SMILES
- ↑ New anthracycline metabolites from mutant strains of Streptomyces galilaeus MA144-M1. I. Isolation and characterization of various blocked mutants
- ↑ 5001112 Antitumor antibiotic kedarcidin
- ↑ Antitumor anthracycline antibiotics, aclacinomycin A and analogues. II. Structural determination
- ↑ Cloning and characterization of Streptomyces galilaeus aclacinomycins polyketide synthase (PKS) cluster
- ↑ A gene cluster from Streptomyces galilaeus involved in glycosylation of aclarubicin
- ↑ Expression, purification, and characterization of AknX anthrone oxygenase, which is involved in aklavinone biosynthesis in Streptomyces galilaeus
- ↑ Antifungal anthracycline antibiotics, spartanamicins A and B from Micromonospora spp
- ↑ 19,0 19,1 Medical Subject Headings, 15. märts 2018, D015250