CHEBI:138557 - 1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)
ChEBI ID CHEBI:138557
ChEBI ASCII Name 1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C44H81O13P
Net Charge 0
Average Mass 849.082
Monoisotopic Mass 848.54148
InChI InChI=1S/C44H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h11,13,16-17,36,39-44,47-51H,3-10,12,14-15,18-35H2,1-2H3,(H,52,53)/b13-11-,17-16-/t36-,39?,40-,41?,42?,43?,44-/m1/s1
InChIKey VKOLGTZUJRSPMQ-NZXTZBTJSA-N
SMILES [C@](COC(=O)CCCCCCCCCCCC)(COP(O[C@H]1C(C(C([C@H](C1O)O)O)O)O)(O)=O)(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[H]
ChEBI Ontology
Outgoing 1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) (CHEBI:138557) is a phosphatidylinositol 35:2 (CHEBI:138552)
Synonym Source
PI(13:0/22:2(13Z,16Z)) LIPID MAPS
Manual Xref Database
LMGP06010058 LIPID MAPS
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Last Modified
28 September 2017