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CHEBI:222282 - Leucinostatin H

ChEBI IDCHEBI:222282
ChEBI NameLeucinostatin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H103N11O12
Net Charge0
Average Mass1134.516
Monoisotopic Mass1133.77877
SMILESCC[C@@H](C)/C=C\C(=O)N1C[C@@H](C)C[C@@H]1C(=O)N[C@@H](CC(C)C)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/C57H103N11O12/c1-21-36(10)22-23-44(70)67-30-37(11)29-42(67)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-68(19,20)80/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22-/t36-,37+,38+,39+,40+,41+,42-,45-,46+/m1/s1
InChIKeyYSPNHJIQHQTTOK-NBBDYGRNSA-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 H (CHEBI:222282) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[3-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R,3S)-3-hydroxy-4-methyl-2-[[(2S)-4-methyl-2-[[(2R,4S)-4-methyl-1-[(Z,4R)-4-methylhex-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]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
78442996ChemSpider