(2R)-daptomycin

chemical compound

Wikidata entity: Q418747

C₇₂H₁₀₁N₁₇O₂₆ (P274)


Wikimedia Commons category is Daptomycin

Quantities

P4250defined daily dose0.28
P2067mass1619.710366

P3780 active ingredient in ... Q29005679 (Cubicin) Cubicin
P233 canonical SMILES String CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C ???
P373 Commons category String Daptomycin ???
P703 found in taxon ... Q22285259 (Streptomyces filamentosus) Streptomyces filamentosus
P1552 has characteristic ... Q679692 (biopharmaceutical) biopharmaceutical
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)C4=C(N)C=CC=C4)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(O)=O ???
P176 manufacturer ... Q206921 (Pfizer) Pfizer
P2175 medical condition treated ... Q34879 (staphylococcal infection) staphylococcal infection
P2175 medical condition treated ... Q18966952 (staphylococcus aureus septicemia) staphylococcus aureus septicemia
P2175 medical condition treated ... Q876887 (cellulitis) cellulitis
P2175 medical condition treated ... Q924421 (septic arthritis) septic arthritis
P2175 medical condition treated ... Q727028 (bacterial infectious disease) bacterial infectious disease
P2175 medical condition treated ... Q2450598 (infective endocarditis) infective endocarditis
P2175 medical condition treated ... Q2458539 (skin infection) skin infection
P1748 NCI Thesaurus ID String C47470 ???
P3489 pregnancy category ... Q28123616 (US pregnancy category B) US pregnancy category B
P769 significant drug interaction ... Q415159 (rosuvastatin) rosuvastatin
P769 significant drug interaction ... Q417942 (fluvastatin) fluvastatin
P769 significant drug interaction ... Q668093 (atorvastatin) atorvastatin
P769 significant drug interaction ... Q670131 (simvastatin) simvastatin
P769 significant drug interaction ... Q1240093 (pravastatin) pravastatin
P3364 stereoisomer of ... Q115971659 (decanoyl-Trp-Asn-Asp-Thr(1)-Gly-Orn-Asp-D-Ala-Asp-Gly-D-Ser-Glu(3S-Me)-Asp(Ph(2-NH2))-(1)) decanoyl-Trp-Asn-Asp-Thr(1)-Gly-Orn-Asp-D-Ala-Asp-Gly-D-Ser-Glu(3S-Me)-Asp(Ph(2-NH2))-(1)
P3364 stereoisomer of ... Q63413234 ((2S)-daptomycin) (2S)-daptomycin
P9989 stylized name String DAPTOmycin ???
P279 subclass of ... Q2903964 (lipopeptide) lipopeptide
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
P2868 subject has role ... Q12187 (antibiotic) antibiotic
P2868 subject has role ... Q804539 (bactericide) bactericide
P12081 WHO Aware Classification ... Q122925739 (reserve) reserve
P2275 World Health Organisation international non-proprietary name Monolingualtext daptomycin ???
External Ids
P267ATC codeJ01XX09
P8072CAB ID125946
P231CAS Registry Number103060-53-3
P9272DeCS ID31518
P715DrugBank IDDB00080
P11198DrugCentral ID783
P8494DSSTOX compound identifierDTXCID9021009
P3117DSSTox substance IDDTXSID1041009
P232EC number600-389-2
P2566ECHA Substance Infocard ID100.116.065
P9635electronic Essential Medicines List medicine ID342
P646Freebase ID/m/05tnjk
P227GND ID4555516-3
P234InChIInChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1
P235InChIKeyDOAKLVKFURWEDJ-QCMAZARJSA-N
P665KEGG IDD01080
P7830LiverTox IDDaptomycin
P10245MedlinePlus drug identifiera608045
P486MeSH descriptor IDD017576
P672MeSH tree codeD04.345.566.270
P672MeSH tree codeD10.477.500
P672MeSH tree codeD12.644.365.500
P672MeSH tree codeD12.644.641.270
P6366Microsoft Academic ID (discontinued)2778651397
P2004NALT ID148784
P11901NCI Dictionary of Cancer Terms entrydaptomycin
P2115NDF-RT IDN0000148828
P10283OpenAlex IDC2778651397
P11199Probes And Drugs IDPD012318
P662PubChem CID101589918
P662PubChem CID21585658
P3417Quora topic IDDaptomycin
P3345RxNorm CUI22299
P2877SureChEMBL ID13491700
P2892UMLS CUIC0057144
P11089UniChem compound ID1075046
P652UNIINWQ5N31VKK
P11143WikiProjectMed IDDaptomycin
P3471WikiSkripta article ID80867
P3350World Health Organisation international non-proprietary name numeric ID6127

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