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]propanoic acid (CHEBI:227000)

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CHEBI:227000 - 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]propanoic acid

ChEBI ID	CHEBI:227000
ChEBI Name	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]propanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H140N20O20
Net Charge	0
Average Mass	1702.120
Monoisotopic Mass	1701.05528
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(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)NC(C)C(=O)O)C(C)C
InChI	InChI=1S/C80H140N20O20/c1-26-27-28-29-30-31-32-33-34-39-52(101)44(4)62(110)100-41-36-38-51(100)60(108)95-79(22,23)70(119)99-80(24,25)71(120)98-77(18,19)67(116)89-48(8)58(106)94-74(12,13)65(114)88-46(6)56(104)91-54(43(2)3)61(109)96-75(14,15)68(117)90-50(37-35-40-83-72(81)82)59(107)85-47(7)57(105)93-73(10,11)64(113)84-42-53(102)92-78(20,21)69(118)97-76(16,17)66(115)87-45(5)55(103)86-49(9)63(111)112/h43-51,54H,26-42H2,1-25H3,(H,84,113)(H,85,107)(H,86,103)(H,87,115)(H,88,114)(H,89,116)(H,90,117)(H,91,104)(H,92,102)(H,93,105)(H,94,106)(H,95,108)(H,96,109)(H,97,118)(H,98,120)(H,99,119)(H,111,112)(H4,81,82,83)
InChIKey	MWFWZUGNRBTIRM-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-[[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]propanoic acid (CHEBI:227000) is a polypeptide (CHEBI:15841)

IUPAC Name
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]propanoic acid

IUPAC Name

Manual Xrefs	Databases
8210102	ChemSpider