CHEBI:220852 - Trichorzin HA-5

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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 Trichorzin HA-5
ChEBI ID CHEBI:220852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C81H142N20O21
Net Charge 0
Average Mass 1732.146
Monoisotopic Mass 1731.06584
InChI InChI=1S/C81H142N20O21/c1-27-80(25,71(120)90-49(31-33-54(82)104)60(109)87-48(41-102)36-42(3)4)100-70(119)78(21,22)96-63(112)52(38-44(7)8)89-64(113)53-30-29-35-101(53)73(122)79(23,24)97-62(111)51(37-43(5)6)88-57(107)40-85-67(116)75(15,16)98-65(114)58(45(9)10)92-68(117)76(17,18)95-61(110)50(32-34-55(83)105)91-72(121)81(26,28-2)99-69(118)77(19,20)94-59(108)46(11)86-56(106)39-84-66(115)74(13,14)93-47(12)103/h42-46,48-53,58,102H,27-41H2,1-26H3,(H2,82,104)(H2,83,105)(H,84,115)(H,85,116)(H,86,106)(H,87,109)(H,88,107)(H,89,113)(H,90,120)(H,91,121)(H,92,117)(H,93,103)(H,94,108)(H,95,110)(H,96,112)(H,97,111)(H,98,114)(H,99,118)(H,100,119)
InChIKey DEKKUTJHZZBCAC-UHFFFAOYSA-N
SMILES O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(CC)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)(C)C)(CC)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(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 Trichorzin HA-5 (CHEBI:220852) 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]acetyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide
Manual Xref Database
78444331 ChemSpider
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