Hypelcin B-III (CHEBI:221781)

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CHEBI:221781 - Hypelcin B-III

ChEBI ID	CHEBI:221781
ChEBI Name	Hypelcin B-III
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C90H154N22O25
Net Charge	0
Average Mass	1944.351
Monoisotopic Mass	1943.14555
SMILES	CCC(C)(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChI	InChI=1S/C90H154N22O25/c1-29-90(28,78(135)98-53(36-39-61(118)119)65(122)96-52(34-37-58(91)115)64(121)95-51(45-113)42-46(2)3)110-77(134)87(22,23)107-70(127)62(48(6)7)100-68(125)56-32-30-40-111(56)80(137)89(26,27)109-75(132)85(18,19)102-60(117)44-93-71(128)81(10,11)105-67(124)55(43-47(4)5)99-73(130)83(14,15)104-66(123)54(35-38-59(92)116)97-74(131)84(16,17)108-76(133)86(20,21)103-63(120)49(8)94-72(129)82(12,13)106-69(126)57-33-31-41-112(57)79(136)88(24,25)101-50(9)114/h46-49,51-57,62,113H,29-45H2,1-28H3,(H2,91,115)(H2,92,116)(H,93,128)(H,94,129)(H,95,121)(H,96,122)(H,97,131)(H,98,135)(H,99,130)(H,100,125)(H,101,114)(H,102,117)(H,103,120)(H,104,123)(H,105,124)(H,106,126)(H,107,127)(H,108,133)(H,109,132)(H,110,134)(H,118,119)
InChIKey	ZUTQWZSSLZQFCA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma peltatum (ncbitaxon:40694)	-	PubMed (8069957)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Hypelcin B-III (CHEBI:221781) is a polypeptide (CHEBI:15841)

IUPAC Name
4-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

IUPAC Name

4-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
78444336	ChemSpider