CHEBI:187329 - PHDdiA-PE

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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 PHDdiA-PE
ChEBI ID CHEBI:187329
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H62NO11P
Net Charge 0
Average Mass 679.829
Monoisotopic Mass 679.40605
InChI InChI=1S/C33H62NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-32(38)42-27-30(28-44-46(40,41)43-26-25-34)45-33(39)22-19-16-13-14-17-20-29(35)23-24-31(36)37/h23-24,29-30,35H,2-22,25-28,34H2,1H3,(H,36,37)(H,40,41)/b24-23+/t29?,30-/m1/s1
InChIKey REEUASONVFSMBC-VBGIYYPRSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(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
ChEBI Ontology
Outgoing PHDdiA-PE (CHEBI:187329) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
(E)-12-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual Xrefs Databases
113380844 ChemSpider
LMGP20020025 LIPID MAPS
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