CHEBI:204419 - Trichorzin PA IV

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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 PA IV
ChEBI ID CHEBI:204419
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C87H143N21O22
Net Charge 0
Average Mass 1835.226
Monoisotopic Mass 1834.07166
InChI InChI=1S/C87H143N21O22/c1-25-86(23,105-67(118)55(34-36-61(89)113)97-77(128)87(24,26-2)107-76(127)84(19,20)101-64(115)48(9)92-66(117)58(44-110)98-73(124)81(13,14)100-49(10)111)78(129)99-63(47(7)8)71(122)104-80(11,12)72(123)91-42-62(114)94-56(38-45(3)4)68(119)103-85(21,22)79(130)108-37-29-32-59(108)70(121)95-57(39-46(5)6)69(120)102-83(17,18)75(126)106-82(15,16)74(125)96-54(33-35-60(88)112)65(116)93-51(43-109)40-50-41-90-53-31-28-27-30-52(50)53/h27-28,30-31,41,45-48,51,54-59,63,90,109-110H,25-26,29,32-40,42-44H2,1-24H3,(H2,88,112)(H2,89,113)(H,91,123)(H,92,117)(H,93,116)(H,94,114)(H,95,121)(H,96,125)(H,97,128)(H,98,124)(H,99,129)(H,100,111)(H,101,115)(H,102,120)(H,103,119)(H,104,122)(H,105,118)(H,106,126)(H,107,127)
InChIKey CCLOVHNKRPWEEV-UHFFFAOYSA-N
SMILES O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC=2C3=C(C=CC=C3)NC2)CCC(=O)N)(C)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)C(NC(=O)C(NC(=O)C)(C)C)CO)C)(C)C)(CC)C)CCC(=O)N)(CC)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 PA IV (CHEBI:204419) 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-methylbutanoyl]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-methylpropanoyl]amino]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediamide
Manual Xref Database
78444076 ChemSpider
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