Fuscopeptin A (CHEBI:213960)

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CHEBI:213960 - Fuscopeptin A

ChEBI ID	CHEBI:213960
ChEBI Name	Fuscopeptin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C86H139N21O22
Net Charge	0
Average Mass	1819.183
Monoisotopic Mass	1818.04036
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)CCCCC)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/C86H139N21O22/c1-22-25-27-33-55(108)38-61(109)97-57(24-3)85(127)107-35-30-34-60(107)78(120)99-58(36-40(4)5)77(119)94-49(17)71(113)92-47(15)69(111)91-48(16)70(112)93-50(18)73(115)101-63(41(6)7)79(121)89-39-62(110)90-46(14)72(114)102-64(42(8)9)80(122)95-51(19)74(116)103-65(43(10)11)81(123)98-56(23-2)76(118)106-68-53(21)129-86(128)59(37-54-31-28-26-29-32-54)100-82(124)66(44(12)87)105-83(125)67(45(13)88)104-75(117)52(20)96-84(68)126/h23-24,26,28-29,31-32,40-53,55,58-60,63-68,108H,22,25,27,30,33-39,87-88H2,1-21H3,(H,89,121)(H,90,110)(H,91,111)(H,92,113)(H,93,112)(H,94,119)(H,95,122)(H,96,126)(H,97,109)(H,98,123)(H,99,120)(H,100,124)(H,101,115)(H,102,114)(H,103,116)(H,104,117)(H,105,125)(H,106,118)/b56-23-,57-24+
InChIKey	QPBOSUOSUAJYJU-WFMFZIQZSA-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 A (CHEBI:213960) 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-hydroxyoctanoylamino)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-hydroxyoctanoylamino)but-2-enoyl]pyrrolidine-2-carboxamide

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