2-[2-[2-[[2-[[2-[[2-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[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]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid (CHEBI:220924)

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CHEBI:220924 - 2-[2-[2-[[2-[[2-[[2-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[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]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid

ChEBI ID	CHEBI:220924
ChEBI Name	2-[2-[2-[[2-[[2-[[2-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[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]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C84H147N21O21
Net Charge	0
Average Mass	1787.226
Monoisotopic Mass	1786.10804
SMILES	CCCCCCCCCCCC(=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(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CCCN=C(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)NC(C)C(=O)NC(C)(C)C(=O)O)C(C)C
InChI	InChI=1S/C84H147N21O21/c1-28-29-30-31-32-33-34-35-36-41-54(106)46(4)65(116)105-43-38-40-53(105)63(114)100-82(22,23)72(123)104-83(24,25)73(124)103-80(18,19)69(120)93-51(9)61(112)98-77(12,13)67(118)92-48(6)58(109)95-56(45(2)3)64(115)101-78(14,15)70(121)94-52(39-37-42-87-75(85)86)62(113)90-50(8)59(110)97-76(10,11)66(117)88-44-55(107)96-81(20,21)71(122)102-79(16,17)68(119)91-47(5)57(108)89-49(7)60(111)99-84(26,27)74(125)126/h45-53,56H,28-44H2,1-27H3,(H,88,117)(H,89,108)(H,90,113)(H,91,119)(H,92,118)(H,93,120)(H,94,121)(H,95,109)(H,96,107)(H,97,110)(H,98,112)(H,99,111)(H,100,114)(H,101,115)(H,102,122)(H,103,124)(H,104,123)(H,125,126)(H4,85,86,87)
InChIKey	TZSYZMNJEJOKFM-UHFFFAOYSA-N

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-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[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]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid (CHEBI:220924) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[2-[[2-[[2-[[2-[[2-[2-[[5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-2-[2-[[2-methyl-2-[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]propanoylamino]propanoyl]amino]propanoylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-2-methylpropanoic acid

IUPAC Name

Manual Xrefs	Databases
17300384	ChemSpider