Fuscopeptin B (CHEBI:207826)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207826 - Fuscopeptin B

ChEBI ID	CHEBI:207826
ChEBI Name	Fuscopeptin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C88H143N21O22
Net Charge	0
Average Mass	1847.237
Monoisotopic Mass	1846.07166
SMILES	C/C=C(\NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)/C(=C\C)NC(=O)CC(O)CCCCCCC)C(C)C)C(C)C)C(C)C)C(=O)NC1C(=O)NC(C)C(=O)NC(C(C)N)C(=O)NC(C(C)N)C(=O)NC(Cc2ccccc2)C(=O)OC1C
InChI	InChI=1S/C88H143N21O22/c1-22-25-26-27-31-35-57(110)40-63(111)99-59(24-3)87(129)109-37-32-36-62(109)80(122)101-60(38-42(4)5)79(121)96-51(17)73(115)94-49(15)71(113)93-50(16)72(114)95-52(18)75(117)103-65(43(6)7)81(123)91-41-64(112)92-48(14)74(116)104-66(44(8)9)82(124)97-53(19)76(118)105-67(45(10)11)83(125)100-58(23-2)78(120)108-70-55(21)131-88(130)61(39-56-33-29-28-30-34-56)102-84(126)68(46(12)89)107-85(127)69(47(13)90)106-77(119)54(20)98-86(70)128/h23-24,28-30,33-34,42-55,57,60-62,65-70,110H,22,25-27,31-32,35-41,89-90H2,1-21H3,(H,91,123)(H,92,112)(H,93,113)(H,94,115)(H,95,114)(H,96,121)(H,97,124)(H,98,128)(H,99,111)(H,100,125)(H,101,122)(H,102,126)(H,103,117)(H,104,116)(H,105,118)(H,106,119)(H,107,127)(H,108,120)/b58-23-,59-24+
InChIKey	DIHOLNUONFKUJS-VAKZLOQXSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas fuscovaginae (ncbitaxon:50340)	-	PubMed (8601458)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Fuscopeptin B (CHEBI:207826) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[[(Z)-1-[[6,9-bis(1-aminoethyl)-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(E)-2-(3-hydroxydecanoylamino)but-2-enoyl]pyrrolidine-2-carboxamide

IUPAC Name

N-[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[[(Z)-1-[[6,9-bis(1-aminoethyl)-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(E)-2-(3-hydroxydecanoylamino)but-2-enoyl]pyrrolidine-2-carboxamide

Manual Xrefs	Databases
78444377	ChemSpider