CHEBI:187749 - OHDdiA-PI

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 OHDdiA-PI
ChEBI ID CHEBI:187749
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H69O16P
Net Charge 0
Average Mass 824.939
Monoisotopic Mass 824.43232
InChI InChI=1S/C39H69O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(43)52-27-30(54-33(44)24-21-18-15-16-19-22-29(40)25-26-31(41)42)28-53-56(50,51)55-39-37(48)35(46)34(45)36(47)38(39)49/h9-10,25-26,29-30,34-40,45-49H,2-8,11-24,27-28H2,1H3,(H,41,42)(H,50,51)/b10-9-,26-25+/t29?,30-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKey VXYKEFQDLPPXOJ-ILYWIYQCSA-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)CCCCCCC/C=C\CCCCCCCC)(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 OHDdiA-PI (CHEBI:187749) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
(E)-4-hydroxy-12-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-12-oxododec-2-enoic acid
Manual Xref Database
LMGP20050036 LIPID MAPS
View more database links