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CHEBI:224805 - Katanosin B

ChEBI IDCHEBI:224805
ChEBI NameKatanosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H97N15O17
Net Charge0
Average Mass1276.502
Monoisotopic Mass1275.71869
SMILESCCC(C)C[C@@H]1NC(=O)[C@H]([C@H](O)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)[C@@H](c2ccccc2)OC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)C(N)=O)NC(=O)CNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC1=O
InChIInChI=1S/C58H97N15O17/c1-12-30(10)23-36-50(82)65-34(19-16-20-63-58(61)62)49(81)70-39(28(6)7)53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(56(88)72-41(54(86)67-36)44(77)29(8)9)73-51(83)35(22-27(4)5)66-48(80)33(59)21-26(2)3/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)/t30?,31-,33+,34+,35-,36-,37-,39-,40-,41-,42-,43-,44+,45-,46+/m0/s1
InChIKeyNVTYPLQREHKFOG-LTAFLNRISA-N
Species of MetaboliteComponentSourceComments
Cytophaga (ncbitaxon:978) - PubMed (3403364)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Katanosin B (CHEBI:224805) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-2-amino-N-[(2S)-1-[[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylbutyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-15-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Manual XrefsDatabases
78443253ChemSpider