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CHEBI:217806 - Cepaciamide A

ChEBI IDCHEBI:217806
ChEBI NameCepaciamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74N2O5
Net Charge0
Average Mass663.041
Monoisotopic Mass662.55977
SMILESCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H]1CCCNC1=O)OC(=O)[C@H](O)CC[C@H]1C[C@H]1CCCCCCCCCCCC
InChIInChI=1S/C40H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-26-35(32-38(44)42-36-27-24-30-41-39(36)45)47-40(46)37(43)29-28-34-31-33(34)25-22-20-18-16-14-12-10-8-6-4-2/h33-37,43H,3-32H2,1-2H3,(H,41,45)(H,42,44)/t33-,34+,35-,36-,37-/m1/s1
InChIKeySHFIKHVKZZBOIT-QDVRJJOPSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - DOI (10.1016/0040-4039(95)02342-9)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cepaciamide A (CHEBI:217806) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(3R)-1-oxo-1-[[(3R)-2-oxopiperidin-3-yl]amino]hexadecan-3-yl] (2R)-4-[(1S,2R)-2-dodecylcyclopropyl]-2-hydroxybutanoate
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8898389ChemSpider