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CHEBI:213470 - Totopotensamide A

ChEBI IDCHEBI:213470
ChEBI NameTotopotensamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H84ClN7O19
Net Charge0
Average Mass1146.727
Monoisotopic Mass1145.55105
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](c2cc(O)c(C)c(O)c2Cl)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)CC(=O)C(C)CC(C)C[C@H](C)[C@@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)NC(=O)CNC1=O
InChIInChI=1S/C52H84ClN7O19/c1-13-21(3)37-48(73)54-18-35(67)55-26(8)38(49(74)60-40(51(76)58-37)30-16-32(65)24(6)42(69)36(30)53)59-47(72)27(9)56-50(75)39(28(10)62)57-34(66)17-31(64)22(4)14-20(2)15-23(5)41(68)25(7)45(29(11)63)79-52-44(71)43(70)46(77-12)33(19-61)78-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,65,68-71H,13-15,17-19H2,1-12H3,(H,54,73)(H,55,67)(H,56,75)(H,57,66)(H,58,76)(H,59,72)(H,60,74)/t20?,21-,22?,23-,25-,26+,27-,28+,29+,33+,37-,38+,39+,40+,41+,43+,44+,45-,46+,52-/m0/s1
InChIKeyVQJONPIPGATABZ-QSPCRYKTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 1053U.I.1a.1b (ncbitaxon:1127562) - PubMed (22439622)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Totopotensamide A (CHEBI:213470) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(8S,9R,10S,11S,12R)-N-[(2R,3R)-1-[[(2S)-1-[[(2R,5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-9,12-dihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide
Manual XrefsDatabases
29214365ChemSpider