CHEBI:145862 - PE(P-18:1(9Z)/18:2(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 PE(P-18:1(9Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:145862
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information ZINC000085588513
Download Molfile XML SDF
Formula C41H76NO7P
Net Charge 0
Average Mass 726.033
Monoisotopic Mass 725.53594
InChI InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,33,36,40H,3-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,19-17-,20-18-,36-33-/t40-/m1/s1
InChIKey ULUBTSXVFBWWEF-MFTBTGPPSA-N
SMILES C([C@@](CO/C=C\CCCCCC/C=C\CCCCCCCC)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[H])OP(=O)(O)OCCN
ChEBI Ontology
Outgoing PE(P-18:1(9Z)/18:2(9Z,12Z)) (CHEBI:145862) is a PE(P-18:1_18:2) (CHEBI:145861)
Synonym Source
PE P-18:1(9Z)/18:2(9Z,12Z) SUBMITTER
Manual Xref Database
HMDB0011442 HMDB accession
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