echinocandin B

chemical compound

Wikidata entity: Q104992442

C₅₂H₈₁N₇O₁₆ (P274)


Wikimedia Commons category is Echinocandin B

Quantities

P2067mass1059.573979512

P233 canonical SMILES String CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O ???
P373 Commons category String Echinocandin B ???
P703 found in taxon ... Q683881 (Aspergillus nidulans) Aspergillus nidulans
P703 found in taxon ... Q1144013 (Streptomyces) Streptomyces
P703 found in taxon ... Q60520452 (Aspergillus spinulosporus) Aspergillus spinulosporus
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O ???
P3364 stereoisomer of ... Q5332458 (Antibiotic SL 7810F) Antibiotic SL 7810F
P279 subclass of ... Q3718510 (echinocandin) echinocandin
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
External Ids
P231CAS Registry Number54651-05-7
P683ChEBI ID315018
P661ChemSpider ID8073802
P3117DSSTox substance IDDTXSID301027535
P232EC number658-057-8
P2566ECHA Substance Infocard ID100.184.852
P646Freebase ID/m/047m8j3
P234InChIInChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1
P235InChIKeyFAUOJMHVEYMQQG-HVYQDZECSA-N
P486MeSH descriptor IDC007572
P6366Microsoft Academic ID (discontinued)2781072932
P7746Natural Product Atlas IDNPA020288
P2085Nikkaji IDJ363.403E
P11199Probes And Drugs IDPD088561
P662PubChem CID9898144
P1579Reaxys registry number5474543
P2877SureChEMBL ID17951640
P2892UMLS CUIC0058920
P11089UniChem compound ID1105594
P652UNIICNW0ZW8ZTQ

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