CHEBI:217249 - Streptoglyceride C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Streptoglyceride C
ChEBI ID CHEBI:217249
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27NO5
Net Charge 0
Average Mass 385.460
Monoisotopic Mass 385.18892
InChI InChI=1S/C22H27NO5/c1-2-3-4-5-8-12-22-19-18(11-13-26-22)25-14-21(19,15-27-22)28-20(24)16-9-6-7-10-17(16)23/h2-7,9-10,18-19H,8,11-15,23H2,1H3/b3-2+,5-4+/t18-,19+,21-,22-/m0/s1
InChIKey VBMCKMSEFYEVBY-ZWBARIEYSA-N
SMILES O=C(O[C@@]12[C@@H]3[C@](OCC[C@@H]3OC1)(CC/C=C/C=C/C)OC2)C4=C(N)C=CC=C4
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Streptoglyceride C (CHEBI:217249) is a benzoate ester (CHEBI:36054)
IUPAC Name
[(1S,4S,7S,11R)-7-[(3E,5E)-hepta-3,5-dienyl]-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-yl] 2-aminobenzoate
Manual Xref Database
71048846 ChemSpider
View more database links