OntologiesslmclassesCHEBI:138100   
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2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholineImported
http://purl.obolibrary.org/obo/CHEBI_138100

A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl.

Defined bychebi
Also appears inmicrogo
Exact Synonyms
(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 2-(trimethylazaniumyl)ethyl phosphate
Related Synonyms
2-(prostaglandin G2)-LPC
2-(prostaglandin G2)-sn-glycero-3-phosphocholine
class Information
charge

0

formula

C28H50NO11P

has_dbxref

PMID:27642067

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C28H50NO11P/c1-5-6-9-12-22(38-32)15-16-25-24(26-19-27(25)40-39-26)13-10-7-8-11-14-28(31)37-23(20-30)21-36-41(33,34)35-18-17-29(2,3)4/h7,10,15-16,22-27,30H,5-6,8-9,11-14,17-21H2,1-4H3,(H-,32,33,34)/b10-7-,16-15+/t22-,23+,24+,25+,26-,27+/m0/s1

inchikey

TYNKWIHBJRQZNW-BWEJQOJRSA-N

in_subset

3_STAR

mass

607.672

monoisotopicmass

607.31215

smiles

P(=O)([O-])(OCC[N+](C)(C)C)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)OO)OO2)=O

class Relations