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CHEBI:219176 - Totopotensamide B

ChEBI IDCHEBI:219176
ChEBI NameTotopotensamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H72ClN7O14
Net Charge0
Average Mass970.559
Monoisotopic Mass969.48258
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](C)O)[C@@H](C)O)[C@@H](C)NC(=O)CNC1=O
InChIInChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25-,26+,27+,34-,35+,36+,37+,38+,39-/m0/s1
InChIKeyLACOKYPQGAPLII-HYZVQEKKSA-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 B (CHEBI:219176) 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]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide
Manual XrefsDatabases
29214366ChemSpider