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CHEBI:138098 - 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion

ChEBI IDCHEBI:138098
ChEBI Name2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion
Stars
ASCII Name2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion
DefinitionA 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-[(9S,11R)-epidioxy-15(S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
Last Modified20 October 2017
Submitternhn
DownloadsMolfile
FormulaC25H44NO11P
Net Charge0
Average Mass565.597
Monoisotopic Mass565.26520
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[NH3+])[C@@H]2C[C@H]1OO2)OO
InChIInChI=1S/C25H44NO11P/c1-2-3-6-9-19(35-29)12-13-22-21(23-16-24(22)37-36-23)10-7-4-5-8-11-25(28)34-20(17-27)18-33-38(30,31)32-15-14-26/h4,7,12-13,19-24,27,29H,2-3,5-6,8-11,14-18,26H2,1H3,(H,30,31)/b7-4-,13-12+/t19-,20+,21+,22+,23-,24+/m0/s1
InChIKeyGARJYNYOLGHMOP-GONZANLZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138098) is a 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:65213)
2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138098) is a oxidized 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:167121)
2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138098) is tautomer of 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:138744)
Incoming Relation(s)
2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:138744) is tautomer of 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138098)
IUPAC Name 
2-azaniumylethyl (2R)-2-{[(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoyl]oxy}-3-hydroxypropyl phosphate
Synonyms  Source
2-(prostaglandin G2)-sn-glycero-3-phosphoethanolamine zwitterionSUBMITTER
2-(prostaglandin G2)-LPE zwitterionChEBI
UniProt Name  Source
2-(prostaglandin G2)-sn-glycero-3-phosphoethanolamineUniProt
Citations