CHEBI:206838 - Talarazine C

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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 C
ChEBI ID CHEBI:206838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H56N6O11
Net Charge 0
Average Mass 736.864
Monoisotopic Mass 736.40071
InChI InChI=1S/C35H56N6O11/c1-23(11-17-42)20-30(45)36-14-5-8-27-33(48)40-28(34(49)39-27)9-6-15-37-31(46)21-25(3)13-19-52-35(50)29(38-26(4)44)10-7-16-41(51)32(47)22-24(2)12-18-43/h20-22,27-29,42-43,51H,5-19H2,1-4H3,(H,36,45)(H,37,46)(H,38,44)(H,39,49)(H,40,48)/b23-20+,24-22+,25-21+/t27-,28-,29-/m0/s1
InChIKey HWODACFBIFSUTQ-AZNGKCPNSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CCCNC(=O)/C=C(/CCOC(=O)[C@@H](NC(=O)C)CCCN(O)C(=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 C (CHEBI:206838) 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-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate
Manual Xref Database
76788092 ChemSpider
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