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CHEBI:205710 - Paracelsin E

ChEBI IDCHEBI:205710
ChEBI NameParacelsin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC88H145N23O24
Net Charge0
Average Mass1909.265
Monoisotopic Mass1908.08328
SMILESCC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChIInChI=1S/C88H145N23O24/c1-44(2)40-56(101-78(133)86(20,21)107-68(123)55(35-38-60(91)116)98-63(118)46(5)93-76(131)84(16,17)105-65(120)48(7)95-77(132)85(18,19)106-64(119)47(6)94-74(129)82(12,13)103-50(9)113)69(124)108-81(10,11)73(128)92-42-61(117)104-83(14,15)75(130)96-49(8)72(127)111-39-29-32-57(111)70(125)102-62(45(3)4)71(126)109-88(24,25)80(135)110-87(22,23)79(134)100-54(34-37-59(90)115)67(122)99-53(33-36-58(89)114)66(121)97-52(43-112)41-51-30-27-26-28-31-51/h26-28,30-31,44-49,52-57,62,112H,29,32-43H2,1-25H3,(H2,89,114)(H2,90,115)(H2,91,116)(H,92,128)(H,93,131)(H,94,129)(H,95,132)(H,96,130)(H,97,121)(H,98,118)(H,99,122)(H,100,134)(H,101,133)(H,102,125)(H,103,113)(H,104,117)(H,105,120)(H,106,119)(H,107,123)(H,108,124)(H,109,126)(H,110,135)
InChIKeySYIILBPFSYCOFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma saturnisporum (ncbitaxon:5549) - DOI (10.1021/np50125a017)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Paracelsin E (CHEBI:205710) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide
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