CHEBI:187220 - PS(O-18:0/17:2(9Z,12Z))

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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 PS(O-18:0/17:2(9Z,12Z))
ChEBI ID CHEBI:187220
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H78NO9P
Net Charge 0
Average Mass 760.047
Monoisotopic Mass 759.54142
InChI InChI=1S/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,38-39H,3-9,11,13-15,17,19-37,42H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,18-16-/t38-,39+/m1/s1
InChIKey QNIOWDJBEDFQPG-VXMPBLKKSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PS(O-18:0/17:2(9Z,12Z)) (CHEBI:187220) is a ether lipid (CHEBI:64611)
PS(O-18:0/17:2(9Z,12Z)) (CHEBI:187220) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376592 ChemSpider
LMGP03020026 LIPID MAPS
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