CHEBI:187957 - PC(18:1(15Z)/18:1(15Z))

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(15Z)/18:1(15Z))
ChEBI ID CHEBI:187957
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H84NO8P
Net Charge 0
Average Mass 786.129
Monoisotopic Mass 785.59346
InChI InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,42H,6-7,12-41H2,1-5H3/b10-8-,11-9-/t42-/m1/s1
InChIKey AHTZADNQKIFVAB-ZKDRKRCBSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CC)COC(=O)CCCCCCCCCCCCC/C=C\CC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(18:1(15Z)/18:1(15Z)) (CHEBI:187957) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2,3-bis[[(Z)-octadec-15-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822521 ChemSpider
LMGP01010855 LIPID MAPS
View more database links