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CHEBI:222626 - Efrapeptin C

ChEBI IDCHEBI:222626
ChEBI NameEfrapeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC80H137N18O16
Net Charge+1
Average Mass1607.086
Monoisotopic Mass1606.04545
SMILESCC(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)CN1CCC[N+]2=C1CCC2
InChIInChI=1S/C80H136N18O16/c1-48(2)42-52(47-95-38-29-37-94-36-28-33-61(94)95)84-68(109)75(10,11)88-63(104)54(44-50(5)6)85-59(101)45-83-67(108)74(8,9)89-65(106)56-31-24-27-41-98(56)73(114)80(20,21)93-70(111)77(14,15)87-60(102)46-82-58(100)34-35-81-62(103)53(43-49(3)4)86-69(110)76(12,13)92-71(112)78(16,17)90-66(107)57-32-23-26-40-97(57)72(113)79(18,19)91-64(105)55-30-22-25-39-96(55)51(7)99/h48-50,52-57H,22-47H2,1-21H3,(H12-,81,82,83,84,85,86,87,88,89,90,91,92,93,100,101,102,103,104,105,106,107,108,109,110,111,112)/p+1/t52-,53-,54-,55-,56-,57-/m0/s1
InChIKeyZEIDGDATYOVOMM-VICXIOLRSA-O
Species of MetaboliteComponentSourceComments
Tolypocladium inflatum (ncbitaxon:29910) - DOI (10.1021/jo00034a022)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Efrapeptin C (CHEBI:222626) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[2-[[(2S)-1-[[1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide
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