CHEBI:169770 - PA(12:0/15:1(9Z))

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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 PA(12:0/15:1(9Z))
ChEBI ID CHEBI:169770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H57O8P
Net Charge 0
Average Mass 576.752
Monoisotopic Mass 576.37911
InChI InChI=1S/C30H57O8P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(32)38-28(27-37-39(33,34)35)26-36-29(31)24-22-20-18-16-12-10-8-6-4-2/h11,13,28H,3-10,12,14-27H2,1-2H3,(H2,33,34,35)/b13-11-/t28-/m1/s1
InChIKey HPCNOZLMAOCFKZ-ACWSPVJKSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
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ChEBI Ontology
Outgoing PA(12:0/15:1(9Z)) (CHEBI:169770) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-pentadec-9-enoate
Manual Xref Database
LMGP10010046 LIPID MAPS
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