CHEBI:138099 - 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion

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ChEBI Name 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion ChEBI ID CHEBI:138099 ChEBI ASCII Name 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion Definition A 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-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H44NO10P Net Charge 0 Average Mass 549.592 Monoisotopic Mass 549.27028 InChI InChI=1S/C25H44NO10P/c1-2-3-6-9-19(28)12-13-22-21(23-16-24(22)36-35-23)10-7-4-5-8-11-25(29)34-20(17-27)18-33-37(30,31)32-15-14-26/h4,7,12-13,19-24,27-28H,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 InChIKey JORBVYOHRWCTFB-GONZANLZSA-N SMILES P(=O)([O-])(OCC[NH3+])OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O ChEBI Ontology Outgoing 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138099) is a 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:65213) 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138099) is a oxidized 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:167121) 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138099) is tautomer of 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:138745) Incoming 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:138745) is tautomer of 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138099) IUPAC Name 2-azaniumylethyl (2R)-3-hydroxy-2-{[(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoyl]oxy}propyl phosphate Synonyms Sources 2-(prostaglandin H2)-LPE zwitterion SUBMITTER 2-(prostaglandin H2)-sn-glycero-3-phosphoethanolamine UniProt Citation Type Source 27642067 PubMed citation SUBMITTER Last Modified 20 October 2017