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CHEBI:204876 - Antagonistic factor

ChEBI IDCHEBI:204876
ChEBI NameAntagonistic factor
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H97N15O14
Net Charge0
Average Mass1204.483
Monoisotopic Mass1203.73394
SMILESCCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChIInChI=1S/C56H97N15O14/c1-7-32(4)13-11-12-16-44(74)63-36(17-23-57)50(78)71-46(34(6)73)55(83)67-38(19-25-59)47(75)65-40-22-28-62-54(82)45(33(5)72)70-51(79)39(20-26-60)66-53(81)43(21-27-61)85-56(84)42(29-31(2)3)69-52(80)41(30-35-14-9-8-10-15-35)68-48(76)37(18-24-58)64-49(40)77/h8-10,14-15,31-34,36-43,45-46,72-73H,7,11-13,16-30,57-61H2,1-6H3,(H,62,82)(H,63,74)(H,64,77)(H,65,75)(H,66,81)(H,67,83)(H,68,76)(H,69,80)(H,70,79)(H,71,78)/t32?,33-,34-,36+,37+,38+,39+,40+,41-,42+,43+,45+,46+/m1/s1
InChIKeyXQSWLVKQKZHBSA-BBZQIQDCSA-N
Species of MetaboliteComponentSourceComments
Paenibacillusspecies (ncbitaxon:58172) - PubMed (16269674)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antagonistic factor (CHEBI:204876) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,17S,20S,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1-oxa-4,7,10,15,18,21-hexazacyclotricos-12-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Manual XrefsDatabases
78442595ChemSpider