CHEBI:142272 - PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:142272
ChEBI ASCII Name PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C47H82O16P2
Net Charge 0
Average Mass 965.094
Monoisotopic Mass 964.50781
InChI InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
InChIKey HYVUWABQXJGFQJ-VBJXKZGFSA-N
SMILES O(C[C@](COP(O)(=O)O[C@H]1C(C(C([C@H](C1O)OP(=O)(O)O)O)O)O)(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[H])C(CCCCCCCCC/C=C\CCCCCC)=O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 1-phosphatidyl-1D-myo-inositol 3-phosphate )
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ChEBI Ontology
Outgoing PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:142272) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate (CHEBI:17283)
Manual Xrefs Databases
24767848 ChemSpider
HMDB0009967 HMDB
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Last Modified
19 September 2018