N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide (CHEBI:203023)

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CHEBI:203023 - N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide

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ChEBI ID	CHEBI:203023
ChEBI Name	N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide
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Submitter	MetaboLights
Downloads	Molfile

Formula	C51H96N16O13
Net Charge	0
Average Mass	1141.428
Monoisotopic Mass	1140.73428
SMILES	CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O
InChI	InChI=1S/C51H96N16O13/c1-26(2)11-9-10-12-38(70)58-31(13-19-52)46(75)67-41(30(8)69)51(80)63-34(16-22-55)43(72)61-36-18-24-57-49(78)40(29(7)68)66-47(76)35(17-23-56)60-42(71)33(15-21-54)62-50(79)39(28(5)6)65-48(77)37(25-27(3)4)64-44(73)32(14-20-53)59-45(36)74/h26-37,39-41,68-69H,9-25,52-56H2,1-8H3,(H,57,78)(H,58,70)(H,59,74)(H,60,71)(H,61,72)(H,62,79)(H,63,80)(H,64,73)(H,65,77)(H,66,76)(H,67,75)
InChIKey	KSIYYZMOCJECOE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Paenibacillus polymyxa (ncbitaxon:1406)	-	PubMed (9666178)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide (CHEBI:203023) is a polypeptide (CHEBI:15841)

IUPAC Name
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide

Manual Xrefs	Databases
78444641	ChemSpider