CHEBI:204465 - Hydroxypseudomonic acid-C amide

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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 Hydroxypseudomonic acid-C amide
ChEBI ID CHEBI:204465
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H50N2O9
Net Charge 0
Average Mass 582.735
Monoisotopic Mass 582.35163
InChI InChI=1S/C30H50N2O9/c1-19(21(3)33)11-9-12-22-18-41-29(28(38)27(22)37)26(36)20(2)17-25(35)40-16-8-6-4-5-7-14-24(34)32-23-13-10-15-31-30(23)39/h9,11,17,19,21-23,26-29,33,36-38H,4-8,10,12-16,18H2,1-3H3,(H,31,39)(H,32,34)/b11-9+,20-17+/t19-,21+,22+,23?,26?,27-,28-,29+/m1/s1
InChIKey BJKYLYDPTXLFIC-IIJHPWTMSA-N
SMILES O=C1NCCCC1NC(=O)CCCCCCCOC(=O)/C=C(/C(O)[C@@H]2OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)[C@H]([C@H]2O)O)\C
Metabolite of Species Details
Alteromonasspecies (NCBI:txid232) See: DOI
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 Hydroxypseudomonic acid-C amide (CHEBI:204465) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
[8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
Manual Xref Database
4578088 ChemSpider
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