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CHEBI:205745 - Hypelcin B-I

ChEBI IDCHEBI:205745
ChEBI NameHypelcin B-I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC89H152N22O25
Net Charge0
Average Mass1930.324
Monoisotopic Mass1929.12990
SMILESCC(=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)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)N1CCC[C@H]1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C)C(C)C
InChIInChI=1S/C89H152N22O25/c1-45(2)41-50(44-112)94-63(120)51(33-36-57(90)114)95-64(121)52(35-38-60(117)118)96-73(130)83(15,16)108-77(134)87(23,24)106-69(126)61(47(5)6)99-67(124)55-31-29-39-110(55)79(136)89(27,28)109-75(132)85(19,20)101-59(116)43-92-70(127)80(9,10)104-66(123)54(42-46(3)4)98-72(129)82(13,14)103-65(122)53(34-37-58(91)115)97-74(131)84(17,18)107-76(133)86(21,22)102-62(119)48(7)93-71(128)81(11,12)105-68(125)56-32-30-40-111(56)78(135)88(25,26)100-49(8)113/h45-48,50-56,61,112H,29-44H2,1-28H3,(H2,90,114)(H2,91,115)(H,92,127)(H,93,128)(H,94,120)(H,95,121)(H,96,130)(H,97,131)(H,98,129)(H,99,124)(H,100,113)(H,101,116)(H,102,119)(H,103,122)(H,104,123)(H,105,125)(H,106,126)(H,107,133)(H,108,134)(H,109,132)(H,117,118)/t48?,50-,51-,52-,53?,54?,55-,56?,61?/m0/s1
InChIKeyNBKNEPZRLHROFK-VGPOKWSDSA-N
Species of MetaboliteComponentSourceComments
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-I (CHEBI:205745) is a polypeptide (CHEBI:15841)
IUPAC Name 
(4S)-4-[[2-[[2-[[2-[[(2S)-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-methylpropanoyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78445236ChemSpider