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CHEBI:222276 - Leucinostatin K

ChEBI IDCHEBI:222276
ChEBI NameLeucinostatin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H111N11O14
Net Charge0
Average Mass1234.633
Monoisotopic Mass1233.83120
SMILESCCC(=O)C[C@@H](O)C[C@H](C)C[C@@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@H](C)CC)C(=O)N[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C[N+](C)(C)[O-])[C@H](O)C(C)C
InChIInChI=1S/C62H111N11O14/c1-21-38(9)23-24-49(77)72-33-40(11)31-47(72)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-73(19,20)87/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/b24-23+/t38-,39+,40+,41+,43+,44+,45+,46-,47+,50-,51-/m1/s1
InChIKeyQAJHIWCONAFMCM-VYJAXEQZSA-N
Species of MetaboliteComponentSourceComments
Marquandomyces marquandii (ncbitaxon:64636) - PubMed (3610826)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucinostatin K (CHEBI:222276) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[3-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R,3R)-3-hydroxy-2-[[(2R,4R,6S)-6-hydroxy-4-methyl-2-[[(2S,4S)-4-methyl-1-[(E,4R)-4-methylhex-2-enoyl]pyrrolidine-2-carbonyl]amino]-8-oxodecanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-N,N-dimethylpropan-1-amine oxide
Manual XrefsDatabases
78442995ChemSpider