Entolysin A (CHEBI:219570)

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CHEBI:219570 - Entolysin A

ChEBI ID	CHEBI:219570
ChEBI Name	Entolysin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C81H141N17O23
Net Charge	0
Average Mass	1721.115
Monoisotopic Mass	1720.03862
SMILES	CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C)C(C)C
InChI	InChI=1S/C81H141N17O23/c1-18-20-21-22-23-24-48(100)37-62(104)85-53(33-40(3)4)72(111)89-52(28-32-63(105)106)68(107)86-50(26-30-60(83)102)70(109)95-64(44(11)12)78(117)91-55(35-42(7)8)74(113)88-51(27-31-61(84)103)71(110)96-65(45(13)14)79(118)90-54(34-41(5)6)73(112)87-49(25-29-59(82)101)69(108)94-58-39-121-81(120)67(47(17)19-2)98-76(115)57(38-99)93-75(114)56(36-43(9)10)92-80(119)66(46(15)16)97-77(58)116/h40-58,64-67,99-100H,18-39H2,1-17H3,(H2,82,101)(H2,83,102)(H2,84,103)(H,85,104)(H,86,107)(H,87,112)(H,88,113)(H,89,111)(H,90,118)(H,91,117)(H,92,119)(H,93,114)(H,94,108)(H,95,109)(H,96,110)(H,97,116)(H,98,115)(H,105,106)
InChIKey	VTRUYCBNPXAOKM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas entomophila (ncbitaxon:312306)	-	PubMed (22266804)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Entolysin A (CHEBI:219570) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
5-[[5-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[5-amino-1-[[3-butan-2-yl-6-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid

IUPAC Name

5-[[5-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[5-amino-1-[[3-butan-2-yl-6-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid

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