CHEBI:211923 - Platensimycin D1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Platensimycin D1
ChEBI ID CHEBI:211923
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H54N2O13S
Net Charge 0
Average Mass 899.020
Monoisotopic Mass 898.33466
InChI InChI=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)
InChIKey SCWJTLPYTVVGRQ-UHFFFAOYSA-N
SMILES S(C(=O)C1=C(O)C(NC(=O)CCC2(C(=O)C=CC34C2C5OC(C3)(C)C(C4)C5)C)=C(O)C=C1)C6C78C(C(CCC(=O)NC9=C(O)C(C(=O)O)=CC=C9O)(C)C(C6)=O)C%10OC(C7)(C)C(C8)C%10
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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