CHEBI:214497 - Trichovirin II 4b

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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 Trichovirin II 4b
ChEBI ID CHEBI:214497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C80H140N20O21
Net Charge 0
Average Mass 1718.119
Monoisotopic Mass 1717.05019
InChI InChI=1S/C80H140N20O21/c1-27-80(26,71(120)99-79(24,25)72(121)100-34-28-29-52(100)63(112)88-51(37-43(6)7)62(111)96-78(22,23)70(119)98-77(20,21)68(117)89-48(30-32-53(81)103)59(108)86-47(40-101)35-41(2)3)93-56(106)39-84-66(115)74(14,15)97-64(113)57(44(8)9)91-69(118)76(18,19)94-60(109)49(31-33-54(82)104)90-67(116)75(16,17)95-61(110)50(36-42(4)5)87-58(107)45(10)85-55(105)38-83-65(114)73(12,13)92-46(11)102/h41-45,47-52,57,101H,27-40H2,1-26H3,(H2,81,103)(H2,82,104)(H,83,114)(H,84,115)(H,85,105)(H,86,108)(H,87,107)(H,88,112)(H,89,117)(H,90,116)(H,91,118)(H,92,102)(H,93,106)(H,94,109)(H,95,110)(H,96,111)(H,97,113)(H,98,119)(H,99,120)
InChIKey LECFSSLMASPBHF-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)(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)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)(CC)C)(C)C
Metabolite of Species Details
Trichoderma viride (NCBI:txid5547) 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 Trichovirin II 4b (CHEBI:214497) 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]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide
Manual Xref Database
78444818 ChemSpider
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