CHEBI:187319 - PHHdiA-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 PHHdiA-PG
ChEBI ID CHEBI:187319
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H53O13P
Net Charge 0
Average Mass 640.704
Monoisotopic Mass 640.32238
InChI InChI=1S/C29H53O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)39-22-26(23-41-43(37,38)40-21-25(32)20-30)42-29(36)19-17-24(31)16-18-27(33)34/h16,18,24-26,30-32H,2-15,17,19-23H2,1H3,(H,33,34)(H,37,38)/b18-16+/t24?,25-,26+/m0/s1
InChIKey JLAFXXUEEICKMN-NERPZCABSA-N
SMILES P(OC[C@H](OC(=O)CCC(O)/C=C/C(O)=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 PHHdiA-PG (CHEBI:187319) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
(E)-7-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual Xrefs Databases
113380962 ChemSpider
LMGP20060011 LIPID MAPS
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