CHEBI:187084 - PHOHA-PG

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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 PHOHA-PG
ChEBI ID CHEBI:187084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H53O12P
Net Charge 0
Average Mass 624.705
Monoisotopic Mass 624.32746
InChI InChI=1S/C29H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(34)38-23-27(24-40-42(36,37)39-22-26(33)21-31)41-29(35)19-18-25(32)16-15-20-30/h15-16,20,25-27,31-33H,2-14,17-19,21-24H2,1H3,(H,36,37)/b16-15+/t25?,26-,27+/m0/s1
InChIKey WXHHPKDJTPQIAB-KPJSMAMLSA-N
SMILES P(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PHOHA-PG (CHEBI:187084) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] hexadecanoate
Manual Xrefs Databases
113380960 ChemSpider
LMGP20060009 LIPID MAPS
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