Feglymycin (CHEBI:199726)

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CHEBI:199726 - Feglymycin

ChEBI ID	CHEBI:199726
ChEBI Name	Feglymycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C95H97N13O30
Net Charge	0
Average Mass	1900.882
Monoisotopic Mass	1899.64643
SMILES	CC(C)C(NC(=O)C(NC(=O)C(N)c1ccc(O)cc1)c1cc(O)cc(O)c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O)c1ccc(O)cc1)c1cc(O)cc(O)c1)C(C)C)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1
InChI	InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)
InChIKey	QJQKBRUTBCTBKE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies DSM 11171 (ncbitaxon:1740725)	-	PubMed (10395273)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Feglymycin (CHEBI:199726) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]butanedioic acid

IUPAC Name

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino]-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]butanedioic acid

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