CHEBI:206832 - Talarazine B

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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 Talarazine B
ChEBI ID CHEBI:206832
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H56N6O10
Net Charge 0
Average Mass 720.865
Monoisotopic Mass 720.40579
InChI InChI=1S/C35H56N6O10/c1-23(11-17-42)20-30(45)36-14-5-8-27-33(48)41-28(34(49)40-27)9-6-15-37-32(47)22-25(3)13-19-51-35(50)29(39-26(4)44)10-7-16-38-31(46)21-24(2)12-18-43/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,45)(H,37,47)(H,38,46)(H,39,44)(H,40,49)(H,41,48)/b23-20+,24-21+,25-22+/t27-,28-,29-/m0/s1
InChIKey RMFKPFACUDNIBY-FCRFISLRSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CCCNC(=O)/C=C(/CCOC(=O)[C@@H](NC(=O)C)CCCNC(=O)/C=C(/CCO)\C)\C)CCCNC(=O)/C=C(/CCO)\C
Metabolite of Species Details
Talaromycesspecies CMB-W045 (NCBI:txid1811500) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Talarazine B (CHEBI:206832) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
[(E)-5-[3-[(2S,5S)-5-[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate
Manual Xref Database
78440539 ChemSpider
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