CHEBI:184398 - SCHEMBL14863920

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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 SCHEMBL14863920
ChEBI ID CHEBI:184398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H33N3O7S
Net Charge 0
Average Mass 591.680
Monoisotopic Mass 591.20392
InChI InChI=1S/C31H33N3O7S/c1-20-7-3-6-10-29(20)42(38,39)33-30(36)22-12-11-21(28(16-22)40-2)15-23-18-34(19-35)27-14-13-24(17-26(23)27)32-31(37)41-25-8-4-5-9-25/h3,6-7,10-14,16-18,25,35H,4-5,8-9,15,19H2,1-2H3,(H,32,37)(H,33,36)
InChIKey HZAQOSFFIGVMDH-UHFFFAOYSA-N
SMILES S(=O)(=O)(NC(=O)C1=CC(OC)=C(CC=2C3=C(N(C2)CO)C=CC(NC(OC4CCCC4)=O)=C3)C=C1)C=5C(=CC=CC5)C
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing SCHEMBL14863920 (CHEBI:184398) is a sulfonamide (CHEBI:35358)
IUPAC Name
cyclopentyl N-[1-(hydroxymethyl)-3-[[2-methoxy-4-[(2-methylphenyl)sulonylcarbamoyl]phenyl]methyl]indol-5-yl]carbamate
Manual Xrefs Databases
30778614 ChemSpider
HMDB0060986 HMDB
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