CHEBI:185419 - PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))

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ChEBI Name PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
ChEBI ID CHEBI:185419
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H90NO8P
Net Charge 0
Average Mass 876.254
Monoisotopic Mass 875.64041
InChI InChI=1S/C51H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,49H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
InChIKey XTUDZQLCHHFUMK-MEWRGBTPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) (CHEBI:185419) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual Xrefs Databases
24769085 ChemSpider
HMDB0009641 HMDB
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