CHEBI:179031 - PC(17:0/17:2(9Z,12Z))

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(17:0/17:2(9Z,12Z))
ChEBI ID CHEBI:179031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H80NO8P
Net Charge 0
Average Mass 758.075
Monoisotopic Mass 757.56216
InChI InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h13,15,19,21,40H,6-12,14,16-18,20,22-39H2,1-5H3/b15-13-,21-19-/t40-/m1/s1
InChIKey SIEUUJNENMOOMX-OOBGKVKUSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(17:0/17:2(9Z,12Z)) (CHEBI:179031) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01011504 LIPID MAPS
View more database links