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CHEBI:224810 - Katanosin A

ChEBI IDCHEBI:224810
ChEBI NameKatanosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H95N15O17
Net Charge0
Average Mass1262.475
Monoisotopic Mass1261.70304
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C57H95N15O17/c1-25(2)20-32(58)47(79)65-35(22-27(5)6)50(82)72-42-45(31-16-13-12-14-17-31)89-56(88)36(24-73)67-54(86)41(44(77)46(59)78)68-37(75)23-63-51(83)39(30(11)74)70-52(84)38(28(7)8)69-48(80)33(18-15-19-62-57(60)61)64-49(81)34(21-26(3)4)66-53(85)40(71-55(42)87)43(76)29(9)10/h12-14,16-17,25-30,32-36,38-45,73-74,76-77H,15,18-24,58H2,1-11H3,(H2,59,78)(H,63,83)(H,64,81)(H,65,79)(H,66,85)(H,67,86)(H,68,75)(H,69,80)(H,70,84)(H,71,87)(H,72,82)(H4,60,61,62)/t30-,32+,33+,34-,35-,36-,38-,39-,40-,41-,42-,43+,44-,45+/m0/s1
InChIKeySHQGVBSYOMBSEU-UXUSTRKRSA-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 A (CHEBI:224810) 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-methylpropyl)-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
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