Bogorol A (CHEBI:206795)

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CHEBI:206795 - Bogorol A

ChEBI ID	CHEBI:206795
ChEBI Name	Bogorol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H142N16O16
Net Charge	0
Average Mass	1584.112
Monoisotopic Mass	1583.07897
SMILES	C/C=C(/NC(=O)[C@@H](O)[C@@H](C)CC)C(=O)NC(CC(C)C)C(=O)N[C@H](CCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CCCCN)C(=O)N[C@H](C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC
InChI	InChI=1S/C80H142N16O16/c1-20-50(18)66(96-71(103)57(30-27-37-83)86-72(104)58(38-43(4)5)88-68(100)54(22-3)84-80(112)67(99)51(19)21-2)79(111)95-65(49(16)17)78(110)94-64(48(14)15)76(108)87-56(29-24-26-36-82)70(102)93-63(47(12)13)77(109)91-60(40-45(8)9)73(105)85-55(28-23-25-35-81)69(101)90-61(41-52-31-33-53(98)34-32-52)75(107)89-59(39-44(6)7)74(106)92-62(42-97)46(10)11/h22,31-34,43-51,55-67,97-99H,20-21,23-30,35-42,81-83H2,1-19H3,(H,84,112)(H,85,105)(H,86,104)(H,87,108)(H,88,100)(H,89,107)(H,90,101)(H,91,109)(H,92,106)(H,93,102)(H,94,110)(H,95,111)(H,96,103)/b54-22+/t50-,51-,55?,56?,57+,58?,59?,60?,61+,62+,63-,64-,65-,66-,67-/m0/s1
InChIKey	OUGJGNKKLVPBBE-XOWHIZSUSA-N

Species of Metabolite	Component	Source	Comments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409)	-	DOI (10.1021/ol006942q)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Bogorol A (CHEBI:206795) is a polypeptide (CHEBI:15841)

IUPAC Name
6-amino-2-[[2-[[(2S)-2-[[6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-5-amino-2-[[2-[[(E)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]but-2-enoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2R)-1-[[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

IUPAC Name

6-amino-2-[[2-[[(2S)-2-[[6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-5-amino-2-[[2-[[(E)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]but-2-enoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2R)-1-[[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

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