CHEBI:219570 - Entolysin A

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ChEBI Name Entolysin A
ChEBI ID CHEBI:219570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C81H141N17O23
Net Charge 0
Average Mass 1721.115
Monoisotopic Mass 1720.03862
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
SMILES O=C1OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCC)CC(C)C)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC(C(NC(C(NC1C(CC)C)=O)CO)=O)CC(C)C)C(C)C
Metabolite of Species Details
Pseudomonas entomophila (NCBI:txid312306) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78444898 ChemSpider
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