Ampullosporin B (CHEBI:206231)

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CHEBI:206231 - Ampullosporin B

ChEBI ID	CHEBI:206231
ChEBI Name	Ampullosporin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C76H125N19O19
Net Charge	0
Average Mass	1608.950
Monoisotopic Mass	1607.93991
SMILES	CC(=O)NC(Cc1cnc2ccccc12)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChI	InChI=1S/C76H125N19O19/c1-38(2)32-45(37-96)84-60(104)49(27-30-55(78)99)87-66(110)71(10,11)92-63(107)51(33-39(3)4)85-61(105)50(28-31-56(79)100)88-67(111)73(14,15)94-69(113)75(18,19)90-57(101)41(7)81-59(103)48(26-29-54(77)98)86-65(109)72(12,13)93-64(108)52(34-40(5)6)89-68(112)74(16,17)95-70(114)76(20,21)91-58(102)42(8)82-62(106)53(83-43(9)97)35-44-36-80-47-25-23-22-24-46(44)47/h22-25,36,38-42,45,48-53,80,96H,26-35,37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,103)(H,82,106)(H,83,97)(H,84,104)(H,85,105)(H,86,109)(H,87,110)(H,88,111)(H,89,112)(H,90,101)(H,91,102)(H,92,107)(H,93,108)(H,94,113)(H,95,114)
InChIKey	AAJHZGKOEKTXLF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Sepedonium (ncbitaxon:74837)	-	PubMed (11302491)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Ampullosporin B (CHEBI:206231) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[2-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

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