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CHEBI:230770 - N-Palmitoyl Arginine

ChEBI IDCHEBI:230770
ChEBI NameN-Palmitoyl Arginine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6S
Net Charge0
Average Mass414.564
Monoisotopic Mass414.20761
SMILESC[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/C(O)(O)OS(=O)(=O)O)CC[C@@H]12
InChIInChI=1S/C21H34O6S/c1-19-11-4-3-5-14(19)6-8-16-17-9-7-15(20(17,2)12-10-18(16)19)13-21(22,23)27-28(24,25)26/h13-14,16-18,22-23H,3-12H2,1-2H3,(H,24,25,26)/b15-13+/t14?,16-,17-,18-,19-,20+/m0/s1
InChIKeyMBZWTCCXLKPWAT-ASIPZNSESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Palmitoyl Arginine (CHEBI:230770) is a androstanoid (CHEBI:50402)
IUPAC Name 
[(2E)-2-[(8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]-1,1-dihydroxyethyl] hydrogen sulate