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CHEBI:218882 - LP237-F8

ChEBI IDCHEBI:218882
ChEBI NameLP237-F8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H108N14O15
Net Charge0
Average Mass1325.662
Monoisotopic Mass1324.81186
SMILESCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@](CC)(CCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C65H108N14O15/c1-13-16-17-18-22-27-51(84)75-64(11,12)61(94)79-35-23-26-47(79)57(90)72-46(37-41-24-20-19-21-25-41)56(89)77-62(7,8)58(91)73-44(29-32-49(67)82)54(87)71-45(30-33-50(68)83)55(88)76-63(9,10)59(92)78-65(15-3,34-14-2)60(93)74-43(28-31-48(66)81)53(86)69-40(6)52(85)70-42(38-80)36-39(4)5/h19-21,24-25,39-40,42-47,80H,13-18,22-23,26-38H2,1-12H3,(H2,66,81)(H2,67,82)(H2,68,83)(H,69,86)(H,70,85)(H,71,87)(H,72,90)(H,73,91)(H,74,93)(H,75,84)(H,76,88)(H,77,89)(H,78,92)/t40-,42-,43-,44-,45-,46-,47-,65-/m0/s1
InChIKeyLWAKAKAXTDCGEV-LVWHMPNSSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium geodes (ncbitaxon:38000) - DOI (10.1021/jo951837t)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LP237-F8 (CHEBI:218882) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-N-[1-[[(3S)-3-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]hexan-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[(2S)-5-amino-2-[[2-methyl-2-[[(2S)-2-[[(2S)-1-[2-methyl-2-(octanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]pentanediamide
Manual XrefsDatabases
8278469ChemSpider