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CHEBI:201989 - 2-[[2-[[2-[[2-[[2-[2-[[5-carbamimidamido-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[2-[[4-methyl-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoic acid

ChEBI IDCHEBI:201989
ChEBI Name2-[[2-[[2-[[2-[[2-[2-[[5-carbamimidamido-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[2-[[4-methyl-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC95H166N24O24
Net Charge0
Average Mass2028.517
Monoisotopic Mass2027.25068
SMILESCCCCCCCCCCCC(=O)C(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C95H166N24O24/c1-32-33-34-35-36-37-38-39-40-45-62(120)51(4)73(131)119-47-42-44-61(119)72(130)114-93(26,27)82(141)117-95(30,31)84(143)118-94(28,29)83(142)116-90(20,21)77(136)105-53(6)65(123)101-55(8)67(125)113-89(18,19)80(139)108-60(48-50(2)3)71(129)103-57(10)69(127)111-87(14,15)76(135)104-52(5)64(122)100-54(7)66(124)112-88(16,17)79(138)107-59(43-41-46-98-85(96)97)70(128)102-56(9)68(126)110-86(12,13)75(134)99-49-63(121)109-92(24,25)81(140)115-91(22,23)78(137)106-58(11)74(132)133/h50-61H,32-49H2,1-31H3,(H,99,134)(H,100,122)(H,101,123)(H,102,128)(H,103,129)(H,104,135)(H,105,136)(H,106,137)(H,107,138)(H,108,139)(H,109,121)(H,110,126)(H,111,127)(H,112,124)(H,113,125)(H,114,130)(H,115,140)(H,116,142)(H,117,141)(H,118,143)(H,132,133)(H4,96,97,98)
InChIKeyCXJDJLDEBDFQFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotii (ncbitaxon:264951) - PubMed (12870808)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[[2-[[2-[[2-[2-[[5-carbamimidamido-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[2-[[4-methyl-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoic acid (CHEBI:201989) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[2-[2-[[5-carbamimidamido-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[2-[[4-methyl-2-[[2-methyl-2-[2-[2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]propanoylamino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
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