CHEBI:177262 - PC(18:1(9Z)e/2:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PC(18:1(9Z)e/2:0)
ChEBI ID CHEBI:177262
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H56NO7P
Net Charge 0
Average Mass 549.730
Monoisotopic Mass 549.37944
InChI InChI=1S/C28H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h13-14,28H,6-12,15-26H2,1-5H3/b14-13-/t28-/m1/s1
InChIKey ZBOQHUSCQCEBGK-JLRCLJKCSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)C)COCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing PC(18:1(9Z)e/2:0) (CHEBI:177262) is a alkylacylglycero-3-phosphocholine (CHEBI:78189)
IUPAC Name
[(2R)-2-acetyloxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766792 ChemSpider
Alkyl-acetyl-glycero-phosphocholines MetaCyc
C04598 KEGG COMPOUND
HMDB0011148 HMDB
LMGP01020154 LIPID MAPS
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