CHEBI:187481 - PC(13:0/18:3(6Z,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 PC(13:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:187481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H72NO8P
Net Charge 0
Average Mass 713.978
Monoisotopic Mass 713.49956
InChI InChI=1S/C39H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-17-15-13-11-9-7-2/h14,16,19-20,22,24,37H,6-13,15,17-18,21,23,25-36H2,1-5H3/b16-14-,20-19-,24-22-/t37-/m1/s1
InChIKey IMNIZIPMIQIJEG-FLNACLCOSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)([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 PC(13:0/18:3(6Z,9Z,12Z)) (CHEBI:187481) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113374905 ChemSpider
LMGP01011349 LIPID MAPS
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