CHEBI:224092 - Trichokindin-Ib

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trichokindin-Ib
ChEBI ID CHEBI:224092
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C81H142N20O22
Net Charge 0
Average Mass 1748.145
Monoisotopic Mass 1747.06076
InChI InChI=1S/C81H142N20O22/c1-28-43(7)51(39-102)87-58(109)47(32-34-54(82)105)88-67(118)76(17,18)98-68(119)78(21,22)97-61(112)49(37-41(3)4)86-63(114)53-31-30-36-101(53)72(123)80(25,26)99-69(120)77(19,20)94-57(108)45(9)85-64(115)74(13,14)96-62(113)50(38-42(5)6)90-66(117)75(15,16)95-60(111)48(33-35-55(83)106)89-71(122)81(27,29-2)100-70(121)79(23,24)93-56(107)44(8)84-59(110)52(40-103)91-65(116)73(11,12)92-46(10)104/h41-45,47-53,102-103H,28-40H2,1-27H3,(H2,82,105)(H2,83,106)(H,84,110)(H,85,115)(H,86,114)(H,87,109)(H,88,118)(H,89,122)(H,90,117)(H,91,116)(H,92,104)(H,93,107)(H,94,108)(H,95,111)(H,96,113)(H,97,112)(H,98,119)(H,99,120)(H,100,121)
InChIKey GXRXDVWUJGIFGY-UHFFFAOYSA-N
SMILES O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)CO)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CO)C)(C)C)(CC)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C)(C)C)(C)C
Metabolite of Species Details
Trichoderma harzianum (NCBI:txid5544) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Trichokindin-Ib (CHEBI:224092) is a polypeptide (CHEBI:15841)
IUPAC Name
2-[[2-[[2-[[2-[[1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-3-methylpentan-2-yl)pentanediamide
Manual Xref Database
78444226 ChemSpider
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