CHEBI:195489 - 2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)
ChEBI ID CHEBI:195489
ChEBI ASCII Name 2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C29H50O12P
Net Charge -1
Average Mass 621.681
Monoisotopic Mass 621.30454
InChI InChI=1S/C29H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,22,24-30,32-36H,2-5,8,11,14-21H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-/t22-,24-,25-,26+,27-,28-,29-/m1/s1
InChIKey NXMTUWJGAHZQDK-XPKIYXIUSA-M
SMILES O=P([O-])(O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC[C@@H](CO)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O
ChEBI Ontology
Outgoing 2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:195489) is a 2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:64872)
Synonyms Sources
2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol UniProt
PI(0:0/20:3n-6)(1−) SUBMITTER