Hypelcin B-II (CHEBI:198583)

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

CHEBI:198583 - Hypelcin B-II

ChEBI ID	CHEBI:198583
ChEBI Name	Hypelcin B-II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C88H150N22O25
Net Charge	0
Average Mass	1916.297
Monoisotopic Mass	1915.11425
SMILES	CC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)C(C)C
InChI	InChI=1S/C88H150N22O25/c1-44(2)40-50(43-111)94-64(120)51(32-35-57(89)113)96-65(121)52(34-37-60(116)117)97-75(131)84(18,19)107-77(133)86(22,23)106-70(126)61(46(5)6)99-68(124)55-30-28-38-109(55)79(135)88(26,27)108-76(132)85(20,21)101-59(115)42-91-71(127)80(10,11)104-67(123)54(41-45(3)4)98-74(130)83(16,17)103-66(122)53(33-36-58(90)114)95-62(118)47(7)92-72(128)81(12,13)102-63(119)48(8)93-73(129)82(14,15)105-69(125)56-31-29-39-110(56)78(134)87(24,25)100-49(9)112/h44-48,50-56,61,111H,28-43H2,1-27H3,(H2,89,113)(H2,90,114)(H,91,127)(H,92,128)(H,93,129)(H,94,120)(H,95,118)(H,96,121)(H,97,131)(H,98,130)(H,99,124)(H,100,112)(H,101,115)(H,102,119)(H,103,122)(H,104,123)(H,105,125)(H,106,126)(H,107,133)(H,108,132)(H,116,117)
InChIKey	VGBLNYMWNHONFG-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-II (CHEBI:198583) 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]propanoylamino]-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-methylpropanoyl]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]propanoylamino]-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-methylpropanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
78443884	ChemSpider