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CHEBI:201035 - Trichokonin-IX

ChEBI IDCHEBI:201035
ChEBI NameTrichokonin-IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC92H153N23O24
Net Charge0
Average Mass1965.373
Monoisotopic Mass1964.14588
SMILESCCC(C)(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)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)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C92H153N23O24/c1-28-92(27,82(138)103-56(37-40-61(94)119)69(125)101-55(36-39-60(93)118)68(124)99-54(46-116)44-53-33-30-29-31-34-53)114-81(137)90(23,24)112-73(129)64(48(4)5)104-72(128)59-35-32-42-115(59)83(139)91(25,26)110-71(127)58(43-47(2)3)100-63(121)45-96-75(131)84(11,12)111-74(130)65(49(6)7)105-79(135)87(17,18)109-70(126)57(38-41-62(95)120)102-78(134)88(19,20)113-80(136)89(21,22)108-67(123)51(9)98-77(133)86(15,16)107-66(122)50(8)97-76(132)85(13,14)106-52(10)117/h29-31,33-34,47-51,54-59,64-65,116H,28,32,35-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,132)(H,98,133)(H,99,124)(H,100,121)(H,101,125)(H,102,134)(H,103,138)(H,104,128)(H,105,135)(H,106,117)(H,107,122)(H,108,123)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)(H,114,137)
InChIKeyHPOJZMVSPXDYJX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - PubMed (8536339)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichokonin-IX (CHEBI:201035) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[1,5-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]-2-methylpropylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylbutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid
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