CHEBI:185641 - PHDdiA-PI

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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-PI
ChEBI ID CHEBI:185641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H67O16P
Net Charge 0
Average Mass 798.901
Monoisotopic Mass 798.41667
InChI InChI=1S/C37H67O16P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(41)50-25-28(52-31(42)22-19-16-13-14-17-20-27(38)23-24-29(39)40)26-51-54(48,49)53-37-35(46)33(44)32(43)34(45)36(37)47/h23-24,27-28,32-38,43-47H,2-22,25-26H2,1H3,(H,39,40)(H,48,49)/b24-23+/t27?,28-,32?,33-,34?,35?,36?,37?/m1/s1
InChIKey UWGBODQBJRZZTA-AWGVOVPGSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(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-PI (CHEBI:185641) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
(E)-12-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual Xref Database
LMGP20050003 LIPID MAPS
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