SeMPI 2.0

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	Cluster	Block	Type	DB screening	Cluster browser	Domains	Modify scaffold	Specificity	Smiles	Postsynthetic modifications
	20	1	nrps-pks	Show	Open	Show	Scaffold Input	dhb * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl	Oc1c(O)c(ccc1)C(O)CC(O)CC=CC(O)CC(O)CC=CC(O)CC=CC(O)CC=CC(O)C(C)C(O)CC=CC=CC=CC=CC(O)C(C)C(O)C(C)C=CCCC=CC=CC=C(C)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles Oc1c(O)c(ccc1)C(O)CC(O)CC=CC(O)CC(O)CC=CC(O)CC=CC(O)CC=CC(O)C(C)C(O)CC=CC=CC=CC=CC(O)C(C)C(O)C(C)C=CCCC=CC=CC=C(C)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	9	1	pks-nrps	Show	Open	Show	Scaffold Input	methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * pip * malonyl * methylmalonyl * unknown * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl	C(=O)N1[C@H](CCC1)C(=O)CC(O)C(C)C=C(*)C(O)CC=C(CC)C(O)C(C)CC(C)C=C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CCC(C)C=CC=C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles C(=O)N1[C@H](CCC1)C(=O)CC(O)C(C)C=C()C(O)CC=C(CC)C(O)C(C)CC(C)C=C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CCC(C)C=CC=C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C Postsynthetic modifications Glyco:3 NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	40	1	pks	Show	Open	Show	Scaffold Input	malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl	CC(=O)C(C)CC(C)C=CCC(C)C=C(C)CCC=C(C)CC(C)C(O)C(C)C(O)CC(O)CC(O)CCC(C)C=C(C)C(O)C	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3
Smiles CC(=O)C(C)CC(C)C=CCC(C)C=C(C)CCC=C(C)CC(C)C(O)C(C)C(O)CC(O)CC(O)CCC(C)C=C(C)C(O)C Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 Figure
	15	2	nrps-pks	Show	Open	Show	Scaffold Input	F * F * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl	N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CCC=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C(O)CC=CC(=O)O	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CCC=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C(O)CC=CC(=O)O Postsynthetic modifications Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	7	2	pks	Show	Open	Show	Scaffold Input	methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl	C(C)C=CC(=O)C(C)CC(C)C(O)C(C)C(O)CC=C(C)C(O)CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles C(C)C=CC(=O)C(C)CC(C)C(O)C(C)C(O)CC=C(C)C(O)CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	3	2	nrps-pks	Show	Open	Show	Scaffold Input	F * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl	N[C@H](Cc1ccccc1)C(=O)C(C)C=C(C)C(O)CC(=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(C)C(=O)O	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles N[C@H](Cc1ccccc1)C(=O)C(C)C=C(C)C(O)CC(=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(C)C(=O)O Postsynthetic modifications Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	3	3	nrps-pks	Show	Open	Show	Scaffold Input	F * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * methylmalonyl	C(C)C(O)C(C)C(O)CC(O)CC=C(C)C=C(C)N[C@H](Cc1ccccc1)C=C(C)C(O)CCC(C)C=CC=C(C)C(=O)O	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles C(C)C(O)C(C)C(O)CC(O)CC=C(C)C=C(C)N[C@H](Cc1ccccc1)C=C(C)C(O)CCC(C)C=CC=C(C)C(=O)O Postsynthetic modifications Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	6	1	nrps	Show	Open	Show	Scaffold Input	L * A * V * A * L * orn * T * orn * V * L	N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)	None
Smiles N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C) Postsynthetic modifications None Figure
	32	1	pks-nrps	Show	Open	Show	Scaffold Input	unknown * T * L * S * D * A * S	C(=O)C(*)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles C(=O)C()C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O Postsynthetic modifications Glyco:0 NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	12	1	nrps-pks	Show	Open	Show	Scaffold Input	F * methylmalonyl * methylmalonyl * methylmalonyl * methoxymalonyl * malonyl * methylmalonyl	N[C@H](Cc1ccccc1)CC(C)C(O)C(C)C=C(C)C(O)C(COC)CCC=C(C)	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles N[C@H](Cc1ccccc1)CC(C)C(O)C(C)C=C(C)C(O)C(COC)CCC=C(C) Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure

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Record: NZ_CP019458.1

Comment: NZ_CP019458.1 Streptomyces autolyticus strain CGMCC0516 chromosome, complete genome

Change record: 0 1 2 3 4 5 6 7