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CHEBI:211923 - Platensimycin D1

ChEBI IDCHEBI:211923
ChEBI NamePlatensimycin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H54N2O13S
Net Charge0
Average Mass899.028
Monoisotopic Mass898.33466
SMILESCC12CC34C=CC(=O)C(C)(CCC(=O)Nc5c(O)ccc(C(=O)SC6CC(=O)C(C)(CCC(=O)Nc7c(O)ccc(C(=O)O)c7O)C7C8CC9CC67CC9(C)O8)c5O)C3C(CC1C4)O2
InChIInChI=1S/C48H54N2O13S/c1-43(30(53)9-14-47-18-22-15-28(39(43)47)62-45(22,3)20-47)12-10-33(55)50-36-27(52)8-6-25(38(36)58)42(61)64-32-17-31(54)44(2,40-29-16-23-19-48(32,40)21-46(23,4)63-29)13-11-34(56)49-35-26(51)7-5-24(37(35)57)41(59)60/h5-9,14,22-23,28-29,32,39-40,51-52,57-58H,10-13,15-21H2,1-4H3,(H,49,56)(H,50,55)(H,59,60)
InChIKeySCWJTLPYTVVGRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27134119)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Platensimycin D1 (CHEBI:211923) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3-[3-[2-[3-[3-(5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl)propanoylamino]-2,4-dihydroxybenzoyl]sulanyl-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid