CHEBI:226773 - Trichoderin A1

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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 Trichoderin A1
ChEBI ID CHEBI:226773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H108N10O11
Net Charge 0
Average Mass 1145.583
Monoisotopic Mass 1144.81990
InChI InChI=1S/C60H108N10O11/c1-19-22-23-24-25-26-30-41(8)52(77)70-33-28-32-45(70)49(74)62-44(36-39(6)29-27-31-43(72)21-3)48(73)65-59(14,15)55(80)68-58(12,13)54(79)64-47(40(7)20-2)50(75)63-46(38(4)5)51(76)66-60(16,17)56(81)67-57(10,11)53(78)61-42(9)37-69(18)34-35-71/h27,31,38-42,44-47,71H,19-26,28-30,32-37H2,1-18H3,(H,61,78)(H,62,74)(H,63,75)(H,64,79)(H,65,73)(H,66,76)(H,67,81)(H,68,80)/b31-27+/t39-,40+,41-,42+,44+,45+,46+,47+/m1/s1
InChIKey UTAHJHKZUWFBTO-OIVUKLAESA-N
SMILES O=C(NC(C(=O)N[C@H](CN(CCO)C)C)(C)C)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](CCCCCCCC)C)CCC1)C[C@@H](C/C=C/C(=O)CC)C)(C)C)(C)C)[C@H](CC)C)C(C)C)(C)C
Metabolite of Species Details
Trichodermaspecies (NCBI:txid1715253) 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 Trichoderin A1 (CHEBI:226773) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-N-[(E,2S,4R)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodec-6-en-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide
Manual Xref Database
24664903 ChemSpider
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