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CHEBI:183397 - 15-deoxy-delta12,14-Prostaglandin J2-biotin

ChEBI IDCHEBI:183397
ChEBI Name15-deoxy-delta12,14-Prostaglandin J2-biotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54N4O4S
Net Charge0
Average Mass626.908
Monoisotopic Mass626.38658
SMILES[H][C@]12CS[C@H](CCCCC(=O)NCCCCCNC(=O)CCC/C=C\C[C@H]3C=CC(=O)/C3=C/C=C/CCCCC)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C35H54N4O4S/c1-2-3-4-5-6-11-18-28-27(22-23-30(28)40)17-10-7-8-12-20-32(41)36-24-15-9-16-25-37-33(42)21-14-13-19-31-34-29(26-44-31)38-35(43)39-34/h6-7,10-11,18,22-23,27,29,31,34H,2-5,8-9,12-17,19-21,24-26H2,1H3,(H,36,41)(H,37,42)(H2,38,39,43)/b10-7-,11-6+,28-18+/t27-,29-,31+,34-/m0/s1
InChIKeyNOEWVZWKWVGZJG-FNSZEXNBSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-delta12,14-Prostaglandin J2-biotin (CHEBI:183397) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
Manual XrefsDatabases
29342183ChemSpider