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CHEBI:187492 - OHOHA-PE

ChEBI IDCHEBI:187492
ChEBI NameOHOHA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H54NO10P
Net Charge0
Average Mass619.733
Monoisotopic Mass619.34853
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(O)/C=C/C=O
InChIInChI=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
InChIKeyAKIIAWKLBFLQGS-ZLUMNJMASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMGP20020042LIPID MAPS
113380861ChemSpider