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CHEBI:214870 - Neoefrapeptin H

ChEBI IDCHEBI:214870
ChEBI NameNeoefrapeptin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H97N13O15
Net Charge0
Average Mass1228.501
Monoisotopic Mass1227.72271
SMILESCCC(C)(NC(=O)C1CCCCN1C(=O)C(C)(C)NC(=O)[C@@H]1CCCCN1C(C)=O)C(=O)NC(C)(CC)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCC(=O)NC1(C(=O)NC(C)(C)C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)O)CC1
InChIInChI=1S/C59H97N13O15/c1-14-57(12,69-50(84)58(13,15-2)67-47(81)40-24-18-21-31-72(40)52(86)55(8,9)66-45(79)38-22-16-19-29-70(38)36(5)73)49(83)63-37(32-35(3)4)44(78)60-28-25-41(74)61-33-42(75)64-59(26-27-59)51(85)68-56(10,11)53(87)71-30-20-17-23-39(71)46(80)65-54(6,7)48(82)62-34-43(76)77/h35,37-40H,14-34H2,1-13H3,(H,60,78)(H,61,74)(H,62,82)(H,63,83)(H,64,75)(H,65,80)(H,66,79)(H,67,81)(H,68,85)(H,69,84)(H,76,77)/t37-,38-,39-,40?,57?,58?/m0/s1
InChIKeyHEESDQJBDWZEDS-VGTOESSISA-N
Species of MetaboliteComponentSourceComments
Geotrichum candidum (ncbitaxon:1173061) - PubMed (16883776)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Neoefrapeptin H (CHEBI:214870) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[(2S)-1-[2-[[1-[[2-[3-[[(2S)-2-[[2-[[2-[[1-[2-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]acetyl]amino]cyclopropanecarbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylpropanoyl]amino]acetic acid
Manual XrefsDatabases
78445188ChemSpider