CHEBI:169051 - PHHdiA-PA

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 PHHdiA-PA
ChEBI ID CHEBI:169051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H47O11P
Net Charge 0
Average Mass 566.625
Monoisotopic Mass 566.28560
InChI InChI=1S/C26H47O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(30)35-20-23(21-36-38(32,33)34)37-26(31)19-17-22(27)16-18-24(28)29/h16,18,22-23,27H,2-15,17,19-21H2,1H3,(H,28,29)(H2,32,33,34)/b18-16+/t22?,23-/m1/s1
InChIKey WGNYWUVFKBCERS-ABTZLANDSA-N
SMILES P(OC[C@H](OC(=O)CCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PHHdiA-PA (CHEBI:169051) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
(E)-7-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual Xref Database
LMGP20070011 LIPID MAPS
View more database links