CHEBI:187492 - OHOHA-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 OHOHA-PE
ChEBI ID CHEBI:187492
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H54NO10P
Net Charge 0
Average Mass 619.733
Monoisotopic Mass 619.34853
InChI InChI=1S/C30H54NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29(34)38-25-28(26-40-42(36,37)39-24-22-31)41-30(35)21-20-27(33)18-17-23-32/h9-10,17-18,23,27-28,33H,2-8,11-16,19-22,24-26,31H2,1H3,(H,36,37)/b10-9-,18-17+/t27?,28-/m1/s1
InChIKey AKIIAWKLBFLQGS-ZLUMNJMASA-N
SMILES P(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 OHOHA-PE (CHEBI:187492) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
113380861 ChemSpider
LMGP20020042 LIPID MAPS
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