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CHEBI:225032 - Leucinostatin B

ChEBI IDCHEBI:225032
ChEBI NameLeucinostatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H109N11O13
Net Charge0
Average Mass1204.607
Monoisotopic Mass1203.82063
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)CNC)[C@@H](O)C(C)C
InChIInChI=1S/C61H109N11O13/c1-20-37(9)22-23-48(76)72-33-39(11)30-46(72)54(81)66-45(29-38(10)28-42(74)31-41(73)21-2)52(79)68-49(50(77)36(7)8)55(82)70-60(15,16)57(84)67-43(26-34(3)4)51(78)65-44(27-35(5)6)53(80)69-61(17,18)58(85)71-59(13,14)56(83)63-25-24-47(75)64-40(12)32-62-19/h22-23,34-40,42-46,49-50,62,74,77H,20-21,24-33H2,1-19H3,(H,63,83)(H,64,75)(H,65,78)(H,66,81)(H,67,84)(H,68,79)(H,69,80)(H,70,82)(H,71,85)/b23-22-/t37-,38+,39-,40+,42+,43+,44+,45-,46+,49+,50+/m1/s1
InChIKeyJLDCSWRYRVBFRU-NKRVIGJNSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (6662804)
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 B (CHEBI:225032) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,4R)-N-[(2R,4R,6S)-6-hydroxy-1-[[(2S,3S)-3-hydroxy-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[[(2S)-1-(methylamino)propan-2-yl]amino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(Z,4R)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
78443280ChemSpider