CHEBI:206259 - FR227673

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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 FR227673
ChEBI ID CHEBI:206259
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H86N8O21S
Net Charge 0
Average Mass 1203.370
Monoisotopic Mass 1202.56282
InChI InChI=1S/C53H86N8O21S/c1-6-26(2)19-27(3)15-13-11-9-7-8-10-12-14-16-39(68)55-32-22-36(66)49(74)59-51(76)43-44(69)28(4)24-61(43)53(78)41(35(65)23-38(54)67)57-50(75)42(46(71)45(70)30-17-18-34(64)37(20-30)82-83(79,80)81)58-48(73)33-21-31(63)25-60(33)52(77)40(29(5)62)56-47(32)72/h17-18,20,26-29,31-33,35-36,40-46,49,62-66,69-71,74H,6-16,19,21-25H2,1-5H3,(H2,54,67)(H,55,68)(H,56,72)(H,57,75)(H,58,73)(H,59,76)(H,79,80,81)
InChIKey XEIJPGKRYOZUGB-UHFFFAOYSA-N
SMILES S(=O)(=O)(OC1=C(O)C=CC(=C1)C(O)C(O)C2NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCC(CC(CC)C)C)CC(C(NC(C4N(C(C(NC2=O)C(O)CC(=O)N)=O)CC(C)C4O)=O)O)O)C(O)C)CC(C3)O)O
Metabolite of Species Details
Chalaraspecies (NCBI:txid36534) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing FR227673 (CHEBI:206259) is a cyclic peptide (CHEBI:23449)
IUPAC Name
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(12,14-dimethylhexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulate
Manual Xref Database
28283412 ChemSpider
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