CHEBI:183915 - 3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid

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ChEBI Name 3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid
ChEBI ID CHEBI:183915
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H32O7
Net Charge 0
Average Mass 432.513
Monoisotopic Mass 432.21480
InChI InChI=1S/C24H32O7/c1-21-7-4-14(25)10-13(21)11-15(20(28)30-3)19-16-5-8-23(29,9-6-18(26)27)22(16,2)12-17-24(19,21)31-17/h10,15-17,19,29H,4-9,11-12H2,1-3H3,(H,26,27)/t15-,16+,17?,19+,21+,22+,23-,24?/m1/s1
InChIKey XNSDIIWFWKXZBT-FXGNOGIFSA-N
SMILES O1C23[C@]([C@]4([C@](CC12)([C@@](O)(CC4)CCC(O)=O)C)[H])([C@@H](CC=5[C@@]3(CCC(=O)C5)C)C(OC)=O)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid (CHEBI:183915) is a organic molecular entity (CHEBI:50860)
IUPAC Name
3-[(2S,9R,10R,11S,14R,15S)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid