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CHEBI:213105 - SB-253514

ChEBI IDCHEBI:213105
ChEBI NameSB-253514
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46N2O9
Net Charge0
Average Mass554.681
Monoisotopic Mass554.32033
SMILESCCCCCCCCCCC[C@H](CC(=O)NC(=O)/C=C1/OC(=O)N2CCC[C@@H]12)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C28H46N2O9/c1-3-4-5-6-7-8-9-10-11-13-19(38-27-26(35)25(34)24(33)18(2)37-27)16-22(31)29-23(32)17-21-20-14-12-15-30(20)28(36)39-21/h17-20,24-27,33-35H,3-16H2,1-2H3,(H,29,31,32)/b21-17+/t18-,19+,20-,24-,25+,26+,27-/m0/s1
InChIKeyCTDVHCGPSKGLNP-RQWRZHBRSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (10994808)
ChEBI Ontology
Outgoing Relation(s)
SB-253514 (CHEBI:213105) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(3R)-N-[(2E)-2-[(7aS)-3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene]acetyl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxytetradecanamide