CHEBI:180864 - PC(18:3(6Z,9Z,12Z)/15:0)

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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 PC(18:3(6Z,9Z,12Z)/15:0)
ChEBI ID CHEBI:180864
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H76NO8P
Net Charge 0
Average Mass 742.032
Monoisotopic Mass 741.53086
InChI InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h14,16,20-21,24-25,39H,6-13,15,17-19,22-23,26-38H2,1-5H3/b16-14-,21-20-,25-24-/t39-/m1/s1
InChIKey XECLFWWDBRCRPK-XRHIYUNWSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing PC(18:3(6Z,9Z,12Z)/15:0) (CHEBI:180864) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766827 ChemSpider
HMDB0008165 HMDB
LMGP01011644 LIPID MAPS
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