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CHEBI:213201 - Pseudomonic acid-C amide

ChEBI IDCHEBI:213201
ChEBI NamePseudomonic acid-C amide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50N2O8
Net Charge0
Average Mass566.736
Monoisotopic Mass566.35672
SMILESC/C(=C\C(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H50N2O8/c1-20(17-25-29(37)28(36)23(19-40-25)12-9-11-21(2)22(3)33)18-27(35)39-16-8-6-4-5-7-14-26(34)32-24-13-10-15-31-30(24)38/h9,11,18,21-25,28-29,33,36-37H,4-8,10,12-17,19H2,1-3H3,(H,31,38)(H,32,34)/b11-9+,20-18+/t21-,22+,23+,24?,25+,28-,29+/m1/s1
InChIKeyNUPBQQAADVVMKE-JLURVKDLSA-N
Species of MetaboliteComponentSourceComments
Alteromonasspecies (ncbitaxon:232) - DOI (10.1007/bf01948016)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pseudomonic acid-C amide (CHEBI:213201) 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]-3-methylbut-2-enoate
Manual XrefsDatabases
4578089ChemSpider