CHEBI:214024 - Jomthonic acid D

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ChEBI Name Jomthonic acid D
ChEBI ID CHEBI:214024
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37N3O7
Net Charge 0
Average Mass 515.607
Monoisotopic Mass 515.26315
InChI InChI=1S/C27H37N3O7/c1-6-16(2)12-15-23(32)30-24(18(4)20-10-8-7-9-11-20)27(36)37-19(5)17(3)25(33)29-21(26(34)35)13-14-22(28)31/h6-12,15,17-19,21,24H,13-14H2,1-5H3,(H2,28,31)(H,29,33)(H,30,32)(H,34,35)/b15-12+,16-6+
InChIKey JWYOWJRAJBVKBT-NEKUXHKKSA-N
SMILES O=C(NC(C(=O)OC(C(C(=O)NC(C(=O)O)CCC(=O)N)C)C)C(C1=CC=CC=C1)C)/C=C/C(=C/C)/C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Jomthonic acid D (CHEBI:214024) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
5-amino-2-[[2-methyl-3-[2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxybutanoyl]amino]-5-oxopentanoic acid
Manual Xref Database
71048485 ChemSpider
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