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CHEBI:223732 - Leucinostatin Y

ChEBI IDCHEBI:223732
ChEBI NameLeucinostatin Y
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H104N10O15
Net Charge0
Average Mass1205.547
Monoisotopic Mass1204.76826
SMILESCCC(=O)CC(O)CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)C=CC(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)NC(C)C(=O)O)C(O)C(C)C
InChIInChI=1S/C60H104N10O15/c1-19-35(9)21-22-46(74)70-31-37(11)29-44(70)52(79)64-43(28-36(10)27-40(72)30-39(71)20-2)50(77)66-47(48(75)34(7)8)53(80)68-59(15,16)56(84)65-41(25-32(3)4)49(76)63-42(26-33(5)6)51(78)67-60(17,18)57(85)69-58(13,14)55(83)61-24-23-45(73)62-38(12)54(81)82/h21-22,32-38,40-44,47-48,72,75H,19-20,23-31H2,1-18H3,(H,61,83)(H,62,73)(H,63,76)(H,64,79)(H,65,84)(H,66,77)(H,67,78)(H,68,80)(H,69,85)(H,81,82)/t35?,36?,37-,38?,40?,41-,42-,43-,44-,47-,48?/m0/s1
InChIKeyRNNIWZPLXMQCIS-COWGUVQBSA-N
Species of MetaboliteComponentSourceComments
Purpureocillium (ncbitaxon:1052105) - PubMed (31017786)
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 Y (CHEBI:223732) is a peptide (CHEBI:16670)
IUPAC Name 
2-[3-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-6-hydroxy-4-methyl-2-[[(2S,4S)-4-methyl-1-(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]propanoic acid