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CHEBI:230672 - PS(14:0/5-iso PGF2VI)

ChEBI IDCHEBI:230672
ChEBI NamePS(14:0/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H68NO13P
Net Charge0
Average Mass777.930
Monoisotopic Mass777.44283
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C38H68NO13P/c1-3-5-7-8-9-10-11-12-13-14-16-21-36(43)49-26-30(27-50-53(47,48)51-28-33(39)38(45)46)52-37(44)22-18-17-20-31-32(35(42)25-34(31)41)24-23-29(40)19-15-6-4-2/h17-18,23-24,29-35,40-42H,3-16,19-22,25-28,39H2,1-2H3,(H,45,46)(H,47,48)/b18-17-,24-23+/t29-,30-,31+,32-,33+,34+,35-/m1/s1
InChIKeyKNDOQHRMCYKHJG-RRQRQRDRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PS(14:0/5-iso PGF2VI) (CHEBI:230672) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
128424391ChemSpider
HMDB0280843HMDB