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CHEBI:191158 - Prostaglandin a1-biotin

ChEBI IDCHEBI:191158
ChEBI NameProstaglandin a1-biotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58N4O5S
Net Charge0
Average Mass646.939
Monoisotopic Mass646.41279
SMILES[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCNC(=O)CCCCCC[C@H]3C(=O)C=C[C@@H]3/C=C/[C@@H](O)CCCCC)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C35H58N4O5S/c1-2-3-7-14-27(40)21-19-26-20-22-30(41)28(26)15-8-4-5-9-17-32(42)36-23-12-6-13-24-37-33(43)18-11-10-16-31-34-29(25-45-31)38-35(44)39-34/h19-22,26-29,31,34,40H,2-18,23-25H2,1H3,(H,36,42)(H,37,43)(H2,38,39,44)/b21-19+/t26-,27-,28+,29-,31-,34-/m0/s1
InChIKeyVMFBZOVDPMVFHJ-YKKCXQPRSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin a1-biotin (CHEBI:191158) is a prostanoid (CHEBI:26347)
IUPAC Name 
N-[5-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanamide
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